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Figshare UvA illicit drugs NIR, five instruments, sample-averaged

figshare · NIR

Figshare UvA illicit drugs NIR, five instruments, sample-averaged. Origin database composed from 5 standardized v2.0 leaves: 5 spectral source(s), 5 declared target(s). Auto-generated from dataset_card.json (verify before publication).

nirv2figshare
599
samples
2,968
wavelengths
5
sources
5
targets
24
metadata
NIR
family

Provenance & citation

Where the original data and publications come from. Follow these links to obtain the source and cite its authors. Reading guide

ContributorDataset of Near-Infrared Spectral Data of Illicit-Drugs and Forensic Casework Samples
Conversion statuspartial
Origin · url [open]https://uvaauas.figshare.com/articles/dataset/Dataset_of_Near-Infrared_Spectral_Data_of_Illicit-Drugs_and_Forensic_Casework_Samples_Analyzed_by_Five_Portable_Spectrometers_Operating_in_Different_Wavelength_Ranges/21252300
Origin · url [open]https://api.figshare.com/v2/articles/21252300

Governance & integrity

Source license, redistribution conditions, content version and identity hashes. Redistribution tier and original-source availability are separate. Reading guide

Tierpublic
LicenseCC-BY-4.0
Permitted useResearch and benchmarking.
Access policyOpen per source license.
RedistributionFigshare API reports CC BY 4.0.
Content version1.1.0
Schema / protocol2.0
Content hash15e76fa807ea7e49…
Processing hash13b8a2a1d5923b90…
Metadata hash20c93ae0d254a699…

Dataset property explorer

Start with the profile axes to locate unusual variation, then inspect the measured values and evidence below. Scores are descriptive heuristics. Reading guide

Mean available profile score0.66
Highest axisDistance to average spectrum · 1.00
Diagnostics8
Sources profiled5

How to read the profile

The center is 0 and the outer ring is 1. Larger values indicate stronger anomaly or heterogeneity signals on that axis. Compare individual axes using the table; this is not an overall quality grade. Missing axes are left blank, and partial profiles have no filled polygon.

Figshare UvA illicit drugs NIR, five instruments, sample-averaged property profile0.250.50.751integritynoiseartefactsbaselinePCA outliersreferencerepeatabilitystructureFigshare UvA illicit drugs NIR, five instruments, sample-averaged — integrity: 0.14Figshare UvA illicit drugs NIR, five instruments, sample-averaged — noise: 0.02Figshare UvA illicit drugs NIR, five instruments, sample-averaged — artefacts: 0.82Figshare UvA illicit drugs NIR, five instruments, sample-averaged — baseline: 0.74Figshare UvA illicit drugs NIR, five instruments, sample-averaged — PCA outliers: 0.91Figshare UvA illicit drugs NIR, five instruments, sample-averaged — reference: 1.00Figshare UvA illicit drugs NIR, five instruments, sample-averaged — structure: 0.97Figshare UvA il…0 center · 1 outer ring · outward = stronger anomaly / heterogeneity signal

Profile axes

Dimensionless scores from 0 to 1 summarize each property; larger values indicate stronger signals. Unavailable axes are not zero.

Integrity
?Combines missing cells, zero columns and infinite values. Higher values call for checking data completeness.
0.14
Noise
?Combines roughness and its signal-to-roughness proxy. Real narrow bands may also contribute.
0.02
Local artifacts
?Combines spike, jump and clipping heuristics. Inspect flagged spectral regions before attributing a cause.
0.82
Baseline/shape
?Summarizes baseline slope and excess edge variation relative to signal scale.
0.74
PCA outliers
?Combines relative PCA residual and score-distance tails. Valid rare spectra can produce a high value.
0.91
Distance to average spectrum
?Dispersion around this dataset's mean spectrum, using distance, shape and shift summaries.
1.00
Repeatability
?Dispersion among observations sharing an ID. Interpretation depends on the documented meaning of that ID.
unavailable
Multi-regime structure
?Variation in local density in PCA space. May reflect legitimate batches or subpopulations.
0.97

Possible explanations to investigate

Bars rank heuristic signatures from 0 to 1. They do not estimate the probability of a physical fault. On narrow screens, scroll the chart horizontally. Full labels, scores, evidence coverage, possible causes and required external checks are in the table below.

Diagnostic hypotheses00.250.50.751hypothesis scoreSignature compatible with a spectral spliceSignature compatible with a spectral splice: 0.910.91Signature compatible with a population shiftSignature compatible with a population shift: 0.910.91Offset compatible with a different white referenceOffset compatible with a different white reference: 0.860.86Signature compatible with a different backgroundSignature compatible with a different background: 0.820.82Signature compatible with clippingSignature compatible with clipping: 0.490.49High spectral roughness signatureHigh spectral roughness signature: 0.440.44Flat spectrum/weak signalFlat spectrum/weak signal: 0.370.37

Heuristic signature scores are not calibrated probabilities of physical causes: 0.78 does not mean a 78% causal probability. Missing evidence remains unavailable. RMS/SAM describe dispersion around the dataset mean, without an independent external reference.

Diagnostic hypotheses and supporting evidence
DiagnosticScoreHeuristic strengthEvidence coverageSignalsPossible causeRequired external checks
Signature compatible with a spectral spliceX_asd0.91strong100 %Spike rate 1.00, Jump rate 1.00, RMS/SAM to mean spectrum 1.00Break at detector junctions, local calibration or different probe.Check the white/black reference actually acquired and its metadata.
Check instrument, probe, geometry, campaign and processing/resampling log.
Check the repeat protocol before interpreting an intra-ID dispersion.
Signature compatible with a population shiftX_nirone0.91strong100 %Mahalanobis / T2 1.00, RMS/SAM to mean spectrum 1.00, PCA structure 1.00Different but physically plausible variety, species, batch or condition.Check the white/black reference actually acquired and its metadata.
Check instrument, probe, geometry, campaign and processing/resampling log.
Check the repeat protocol before interpreting an intra-ID dispersion.
Offset compatible with a different white referenceX_micronir0.86strong100 %PCA Q 1.00, Baseline/mean/area 1.00, RMS/SAM to mean spectrum 1.00Systematic discrepancy between campaigns, instruments or white reference.Check the white/black reference actually acquired and its metadata.
Check instrument, probe, geometry, campaign and processing/resampling log.
Check the repeat protocol before interpreting an intra-ID dispersion.
Signature compatible with a different backgroundX_micronir0.82strong100 %PCA Q 1.00, Baseline/mean/area 1.00, RMS/SAM to mean spectrum 1.00Systematic effect of support, white/black, transflectance or measurement environment.Check the white/black reference actually acquired and its metadata.
Check instrument, probe, geometry, campaign and processing/resampling log.
Check the repeat protocol before interpreting an intra-ID dispersion.
Signature compatible with clippingX_asd0.49medium100 %Baseline/mean/area 1.00, Jump rate 1.00, PCA Q 0.87Detector saturated or insufficient dynamic range.Check the white/black reference actually acquired and its metadata.
Check instrument, probe, geometry, campaign and processing/resampling log.
Check the repeat protocol before interpreting an intra-ID dispersion.
High spectral roughness signatureX_micronir0.44medium100 %PCA Q 1.00, RMS/SAM to mean spectrum 1.00, Spike rate 0.94Weak signal, detector problem, lamp or unstable acquisition.Check the white/black reference actually acquired and its metadata.
Check instrument, probe, geometry, campaign and processing/resampling log.
Check the repeat protocol before interpreting an intra-ID dispersion.
Flat spectrum/weak signalX_scio0.37weak100 %PCA Q 1.00, Very low variance 0.42Bad contact, missing sample, degraded measurement or very low dynamic range.Check the white/black reference actually acquired and its metadata.
Check instrument, probe, geometry, campaign and processing/resampling log.
Check the repeat protocol before interpreting an intra-ID dispersion.
Weak signatures observedX_asd—unknown90 %Weak signatures on available metrics; does not certify either physical validity or the absence of defects.Check the white/black reference actually acquired and its metadata.
Check instrument, probe, geometry, campaign and processing/resampling log.
Check the repeat protocol before interpreting an intra-ID dispersion.

Spectral sources

Each block is a separate instrument or spectral source. Read its signal summary before using PCA to explore variation between observations. Reading guide

Source coverage
SourceObservationsSample units
ASD FieldSpec averaged NIR390390
Viavi MicroNIR averaged NIR424424
NeoSpectra averaged NIR429429
NIRONE averaged NIR341341
Consumer Physics SCiO averaged NIR419419

199 sample units are measured by every source; 80 by a single source. Sources are joined by declared sample identity, never by row position.

ASD FieldSpec averaged NIR

X_asd · NIR · ASD FieldSpec

Read the signal and variation summaries for this source. Axis unit: nm; signal representation: not recorded.

Spectral signal summary

The mean and median describe the typical signal at each channel; shaded bands show the 25th–75th and 5th–95th percentiles across observations. A wider band means greater variation, which can be biological or instrumental.

ASD FieldSpec averaged NIR spectra-0.50.00.51.001,0002,0003,000q05-q95 envelopeq25-q75 envelopemedian spectrummedianq25–q75q05–q95wavelength / nm350nm — median 0.5234 (q25–q75 0.2809–0.664)365nm — median 0.4331 (q25–q75 0.2599–0.6424)381nm — median 0.3725 (q25–q75 0.2383–0.6276)396nm — median 0.3438 (q25–q75 0.226–0.6223)412nm — median 0.3219 (q25–q75 0.2182–0.6049)427nm — median 0.3128 (q25–q75 0.2091–0.5968)443nm — median 0.304 (q25–q75 0.2003–0.5811)458nm — median 0.2979 (q25–q75 0.1948–0.5818)474nm — median 0.2874 (q25–q75 0.1883–0.5888)489nm — median 0.2798 (q25–q75 0.1835–0.5828)505nm — median 0.2695 (q25–q75 0.1779–0.5343)520nm — median 0.2579 (q25–q75 0.1555–0.534)536nm — median 0.2555 (q25–q75 0.1508–0.5288)551nm — median 0.2547 (q25–q75 0.1573–0.5267)567nm — median 0.2519 (q25–q75 0.1565–0.4915)582nm — median 0.2463 (q25–q75 0.1539–0.4478)597nm — median 0.2333 (q25–q75 0.1273–0.3648)613nm — median 0.2287 (q25–q75 0.1151–0.3301)628nm — median 0.227 (q25–q75 0.1164–0.3258)644nm — median 0.2286 (q25–q75 0.117–0.3224)659nm — median 0.2304 (q25–q75 0.1191–0.3199)675nm — median 0.2311 (q25–q75 0.1208–0.332)690nm — median 0.2322 (q25–q75 0.1218–0.3305)706nm — median 0.2329 (q25–q75 0.1214–0.3243)721nm — median 0.2328 (q25–q75 0.1217–0.3218)737nm — median 0.2335 (q25–q75 0.1227–0.317)752nm — median 0.2333 (q25–q75 0.1226–0.3141)768nm — median 0.2321 (q25–q75 0.1226–0.3102)783nm — median 0.2316 (q25–q75 0.1234–0.3054)799nm — median 0.2319 (q25–q75 0.1244–0.3033)814nm — median 0.232 (q25–q75 0.1253–0.3006)829nm — median 0.2318 (q25–q75 0.126–0.2962)845nm — median 0.2318 (q25–q75 0.1272–0.2908)860nm — median 0.2337 (q25–q75 0.134–0.2908)876nm — median 0.2354 (q25–q75 0.1364–0.2911)891nm — median 0.2354 (q25–q75 0.1386–0.2916)907nm — median 0.235 (q25–q75 0.1452–0.2895)922nm — median 0.2319 (q25–q75 0.1396–0.2884)938nm — median 0.2304 (q25–q75 0.1338–0.2844)953nm — median 0.2295 (q25–q75 0.1332–0.2827)969nm — median 0.2307 (q25–q75 0.1344–0.2827)984nm — median 0.233 (q25–q75 0.1407–0.2834)1,000nm — median 0.2347 (q25–q75 0.1512–0.288)1,015nm — median 0.234 (q25–q75 0.1534–0.2853)1,031nm — median 0.2338 (q25–q75 0.1545–0.2853)1,046nm — median 0.2346 (q25–q75 0.1541–0.2862)1,062nm — median 0.2333 (q25–q75 0.1528–0.2851)1,077nm — median 0.2311 (q25–q75 0.1528–0.2861)1,092nm — median 0.231 (q25–q75 0.1559–0.2849)1,108nm — median 0.2336 (q25–q75 0.1659–0.2846)1,123nm — median 0.2448 (q25–q75 0.1824–0.2956)1,139nm — median 0.2604 (q25–q75 0.1998–0.3095)1,154nm — median 0.2606 (q25–q75 0.195–0.3102)1,170nm — median 0.2672 (q25–q75 0.2076–0.3164)1,185nm — median 0.2667 (q25–q75 0.2074–0.3214)1,201nm — median 0.262 (q25–q75 0.1961–0.3224)1,216nm — median 0.2553 (q25–q75 0.1888–0.3151)1,232nm — median 0.2491 (q25–q75 0.1795–0.3054)1,247nm — median 0.2458 (q25–q75 0.1808–0.3012)1,263nm — median 0.2437 (q25–q75 0.1771–0.2989)1,278nm — median 0.2456 (q25–q75 0.1746–0.2995)1,294nm — median 0.2424 (q25–q75 0.1744–0.2966)1,309nm — median 0.2415 (q25–q75 0.1749–0.2943)1,324nm — median 0.2457 (q25–q75 0.1815–0.296)1,340nm — median 0.2572 (q25–q75 0.1962–0.3084)1,355nm — median 0.2697 (q25–q75 0.2082–0.3268)1,371nm — median 0.2837 (q25–q75 0.2195–0.3428)1,386nm — median 0.2871 (q25–q75 0.221–0.3491)1,402nm — median 0.2967 (q25–q75 0.2235–0.3579)1,417nm — median 0.3082 (q25–q75 0.2248–0.3727)1,433nm — median 0.3189 (q25–q75 0.2274–0.3919)1,448nm — median 0.3255 (q25–q75 0.2237–0.4041)1,464nm — median 0.3312 (q25–q75 0.2254–0.4206)1,479nm — median 0.3423 (q25–q75 0.223–0.4298)1,495nm — median 0.3442 (q25–q75 0.2261–0.4328)1,510nm — median 0.3403 (q25–q75 0.2298–0.4282)1,526nm — median 0.3366 (q25–q75 0.2268–0.4305)1,541nm — median 0.337 (q25–q75 0.2277–0.4379)1,556nm — median 0.3471 (q25–q75 0.2334–0.4406)1,572nm — median 0.3462 (q25–q75 0.2328–0.4407)1,587nm — median 0.3461 (q25–q75 0.2366–0.437)1,603nm — median 0.3413 (q25–q75 0.2426–0.4281)1,618nm — median 0.3412 (q25–q75 0.2538–0.4242)1,634nm — median 0.3463 (q25–q75 0.2685–0.4247)1,649nm — median 0.3579 (q25–q75 0.3006–0.4435)1,665nm — median 0.3922 (q25–q75 0.3243–0.4858)1,680nm — median 0.4035 (q25–q75 0.3323–0.4952)1,696nm — median 0.3966 (q25–q75 0.3316–0.4962)1,711nm — median 0.387 (q25–q75 0.3288–0.4948)1,727nm — median 0.3948 (q25–q75 0.3328–0.5029)1,742nm — median 0.386 (q25–q75 0.3213–0.4873)1,758nm — median 0.379 (q25–q75 0.3139–0.4767)1,773nm — median 0.3758 (q25–q75 0.3124–0.4721)1,788nm — median 0.3772 (q25–q75 0.3068–0.465)1,804nm — median 0.3725 (q25–q75 0.305–0.4622)1,819nm — median 0.3712 (q25–q75 0.3035–0.4604)1,835nm — median 0.3646 (q25–q75 0.2996–0.4576)1,850nm — median 0.3577 (q25–q75 0.2933–0.4509)1,866nm — median 0.3544 (q25–q75 0.2916–0.4497)1,881nm — median 0.3583 (q25–q75 0.2954–0.4518)1,897nm — median 0.3831 (q25–q75 0.3058–0.468)1,912nm — median 0.4029 (q25–q75 0.3159–0.4999)1,928nm — median 0.4177 (q25–q75 0.3156–0.5198)1,943nm — median 0.421 (q25–q75 0.3183–0.5258)1,959nm — median 0.4207 (q25–q75 0.3189–0.5346)1,974nm — median 0.4207 (q25–q75 0.3238–0.522)1,990nm — median 0.4241 (q25–q75 0.3242–0.5408)2,005nm — median 0.4234 (q25–q75 0.3336–0.5593)2,021nm — median 0.4313 (q25–q75 0.3366–0.5457)2,036nm — median 0.4274 (q25–q75 0.3373–0.5243)2,051nm — median 0.4329 (q25–q75 0.3345–0.5379)2,067nm — median 0.4448 (q25–q75 0.3398–0.5476)2,082nm — median 0.4588 (q25–q75 0.3451–0.5644)2,098nm — median 0.4634 (q25–q75 0.357–0.5699)2,113nm — median 0.4724 (q25–q75 0.3661–0.5675)2,129nm — median 0.4891 (q25–q75 0.3945–0.5819)2,144nm — median 0.5063 (q25–q75 0.427–0.5954)2,160nm — median 0.5049 (q25–q75 0.4215–0.5941)2,175nm — median 0.5019 (q25–q75 0.4161–0.5961)2,191nm — median 0.5055 (q25–q75 0.4249–0.5983)2,206nm — median 0.5089 (q25–q75 0.4331–0.6105)2,222nm — median 0.5339 (q25–q75 0.4523–0.6415)2,237nm — median 0.5718 (q25–q75 0.4911–0.6742)2,253nm — median 0.6173 (q25–q75 0.5379–0.7295)2,268nm — median 0.5967 (q25–q75 0.535–0.7128)2,283nm — median 0.5954 (q25–q75 0.5289–0.7199)2,299nm — median 0.5818 (q25–q75 0.5127–0.7466)2,314nm — median 0.5809 (q25–q75 0.5221–0.7666)2,330nm — median 0.5736 (q25–q75 0.5097–0.7217)2,345nm — median 0.5804 (q25–q75 0.5108–0.7443)2,361nm — median 0.5702 (q25–q75 0.5029–0.7251)2,376nm — median 0.5736 (q25–q75 0.5109–0.7296)2,392nm — median 0.585 (q25–q75 0.5201–0.7444)2,407nm — median 0.5864 (q25–q75 0.5196–0.7421)2,423nm — median 0.5834 (q25–q75 0.5135–0.7369)2,438nm — median 0.5939 (q25–q75 0.53–0.7534)2,454nm — median 0.6311 (q25–q75 0.5698–0.7618)2,469nm — median 0.6452 (q25–q75 0.569–0.7678)2,485nm — median 0.6341 (q25–q75 0.5371–0.7767)2,500nm — median 0.6321 (q25–q75 0.5095–0.7625)

Sampling

How many observations and spectral channels were exported, and how the wavelength axis is spaced. Reading guide

Wavelengths
?Number of spectral channels. A channel can represent wavelength, wavenumber or another feature axis.
2,151
Axis range
?Lowest and highest recorded spectral-axis coordinates, in the stated unit.
350–2,500 nm
Mean spacing
?Average difference between adjacent spectral-axis coordinates; compare only within the same unit.
1 nm
Grid
?Uniform means adjacent axis spacings are approximately equal. An irregular grid may need care when applying derivatives.
uniform
Observations
?Exported spectral rows in this source, including repeated measurements when present.
390

Signal & quality

Signal level and roughness summaries. These depend on the signal representation and are not instrument acceptance tests. Reading guide

Value range
?Minimum and maximum recorded spectral values, in the original signal representation.
-0.225 – 1.47
Mean range
?Minimum and maximum of the mean spectrum across spectral channels.
0.219 – 0.673
Mean level
?Average signal over observations and channels. The historical key mean_reflectance may also store other signal representations.
0.368
Area
?Trapezoidal integral of the mean spectrum over the sorted recorded axis; its unit is signal multiplied by axis unit.
791.1
PTP
?Peak-to-peak: maximum minus minimum of the mean spectrum. Low values indicate little variation along the mean spectrum.
0.4539
Noise RMS
?Historical roughness sigma proxy from robust second differences. Narrow genuine bands can also raise it; this is not repeat-measured instrument noise.
4.0492e-05
Roughness S/N proxy
?Average absolute signal divided by the roughness proxy. Higher means smoother signal relative to its amplitude, not certified instrument SNR.
9.2e+03
Roughness S/N proxy dB
?20 log10 of the roughness signal-to-noise proxy. Units are decibels; compare only compatible signal representations.
8e+01 dB
Dynamic range
?Maximum minus minimum of the mean spectrum. Its magnitude depends on the signal representation.
0.454
Smoothness
?Mean per-spectrum RMS of second differences, in signal units. Smaller values indicate smoother spectra under this protocol.
0.000703
Saturated
?Fraction at the observed global maximum; a heuristic indicator, not a comparison with known detector limits.
0.0%
X-outliers
?Number flagged by the qualification outlier method. An unusual spectrum can be valid and should not be discarded automatically.
234

Integrity & artefacts

Missing values, narrow spikes and abrupt jumps to investigate in the original spectra. Reading guide

NaN ratio
?Missing spectral cells divided by all spectral cells, displayed as a percentage.
0.00%
Inf count
?Number of positive or negative infinite spectral values; investigate invalid calculations or export.
0
Zero ratio
?Exactly zero spectral cells divided by all cells. Zero can be a valid measurement and is not automatically missing.
0.00%
Spike count
?Local narrow peaks flagged by the second-difference heuristic; real sharp spectral bands may also be flagged.
59,329
Spike rate
?Fraction of tested second-difference positions flagged as spikes, displayed as a percentage.
7.08%
Jump count
?Adjacent-channel changes flagged by the first-difference heuristic, potentially including detector joins.
27,040
Jump rate
?Fraction of tested adjacent-channel differences flagged as jumps, displayed as a percentage.
3.22%
Clip fraction
?Fraction of finite cells near the observed global minimum or maximum; inspect detector limits before concluding saturation.
0.00%

Shape & reference

Variation relative to this dataset's mean spectrum; the mean is not an independently measured calibration reference. Reading guide

Baseline slope
?Linear slope fitted to the mean spectrum over an axis normalized to 0–1. It describes total baseline change, not change per physical axis unit.
0.34642
Curvature RMS
?Median per-spectrum RMS of second differences, summarizing curvature and high-frequency variation.
0.00060956
D1 RMS
?Median per-spectrum RMS of adjacent-channel first differences; reflects both real spectral structure and artefacts.
0.0017133
RMS to mean
?Root mean square distance to this dataset's mean spectrum, in signal units.
0.13318
RMS p95
?95th percentile of distances to the mean spectrum: 95% of observations have a distance at or below this value.
0.32516
SAM to mean
?Spectral Angle Mapper: angle to the mean spectrum, in radians. Smaller angles indicate more similar shapes.
0.20929
SAM p95
?95th percentile of spectral angles to the dataset mean, in radians. It is less sensitive to overall amplitude than RMS.
0.63988
Affine offset p95
?95th percentile of absolute fitted offsets when matching each spectrum to the dataset mean.
0.43375
Affine gain p95 Δ
?95th percentile of the absolute gain deviation from 1 in the fit to the mean spectrum.
0.81017
Affine residual p95
?95th percentile of residual RMS after gain and offset correction to the mean spectrum.
0.13716
Xcorr lag p95
?95th percentile of the absolute cross-correlation shift relative to the mean spectrum, in spectral channels.
19

Outliers & repeatability

Unusual spectra and within-ID dispersion. Repeated IDs do not by themselves establish technical repetitions. Reading guide

PCA Q p95/median
?Q (squared prediction error) is variation left outside the retained PCA subspace. The displayed ratio compares its 95th percentile with its median.
7
Hotelling T2 p95/median
?Hotelling T² measures distance within the retained PCA subspace, scaled by component variance. Ratio of the 95th percentile to the median.
4.7
Mahalanobis H p95/median
?Distance from the PCA-score center after variance scaling. Ratio of the 95th percentile to the median; large values identify relatively extreme spectra.
2.2
Repeat groups
?Number of IDs with several observations. Source documentation is needed to decide whether these are technical repeats, positions or time points.
0

Dimensionality (PCA)

Principal component analysis (PCA) compresses correlated wavelengths into components. This describes spectral variation, without using prediction targets. Reading guide

Effective rank
?Entropy-based summary of the variance distribution across components. Larger values indicate variation spread across more dimensions.
2.5
PCs → 95% var
?Number of principal components needed to explain 95% of spectral variance, when reached by the computed projection.
4
PCs → 99% var
?Number of principal components needed to explain 99% of spectral variance, when reached by the computed projection.
10
Top-10 cum. var
?Fraction of spectral variance explained by up to the first ten computed principal components, displayed as a percentage.
99.1%
Computed metric scores 30highest alert 1.00

Value is the measured quantity; alert score is its heuristic mapping to 0–1. Levels are weak below 0.42, medium from 0.42, and strong from 0.72. These are display bands, not calibrated acceptance thresholds. A dash means unavailable, never zero. Possible causes are suggestions to investigate. Use each metric’s ? control for its meaning and scoring: hover for a hint, or expand it with a tap, Enter or Space.

FamilyComputed metricValueAlert scoreHeuristic levelDescriptive interpretationPossible causes to verifyCalculation / scoring
Data integrityInvalid/masked cell count (owner report)
?Count of cells reported unavailable by the native owner under its null or validity mask. This count is distinct from the historical NaN ratio; consult the recorded population and denominator. Scoring: No alert mapping is defined for this metric; an unavailable score does not mean a zero measured value. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
integrity.missing_cells		——not calculableNot enough information to score this metric on this dataset.Missing data or validity mask; not evidence of an acquisition causeNative Preflight count of cells unavailable under x/null and valid_mask; denominator stays in native_metric.denominators.n_cells. Not legacy NaN ratio.
Data integrityNaN ratio
?Missing spectral cells divided by all spectral cells, displayed as a percentage. Scoring: alert = min(1, nan_ratio / 0.05). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
integrity.nan_ratio		0%0.00weakFull spectrumAcquisition/export errorcount(isnan(X)) / X.sizealert = min(1, nan_ratio / 0.05)
Data integrityInf count
?Number of positive or negative infinite spectral values; investigate invalid calculations or export. Scoring: alert = min(1, inf_count / 1). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
integrity.inf_count		00.00weakNormalInvalid calculationscount(isinf(X))alert = min(1, inf_count / 1)
Data integrityZero ratio
?Exactly zero spectral cells divided by all cells. Zero can be a valid measurement and is not automatically missing. Scoring: alert = min(1, zero_ratio / 0.05). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
integrity.zero_ratio		0%0.00weakNormalExport, saturationcount(X == 0) / count(finite X)alert = min(1, zero_ratio / 0.05)
Overall amplitudeMean reflectance
?Average signal over observations and channels. The historical key mean_reflectance may also store other signal representations. Scoring: alert reuses baseline/shape drift because absolute reflectance ranges are technology-dependent. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
amplitude.mean_reflectance		0.368041.00strongAtypical value: Too light / background visible or Too darkBackground, geometrymean(X finite)alert reuses baseline/shape drift because absolute reflectance ranges are technology-dependent
Overall amplitudeArea under curve
?Trapezoidal integral of the mean spectrum over the sorted recorded axis; its unit is signal multiplied by axis unit. Scoring: alert reuses baseline/shape drift because area scale depends on axis and units. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
amplitude.area_under_curve		791.081.00strongAtypical value: Illumination difference or NormalProbe distancetrapezoid(mean_spectrum, spectral_axis)alert reuses baseline/shape drift because area scale depends on axis and units
Overall amplitudePeak-to-peak (PTP)
?Peak-to-peak: maximum minus minimum of the mean spectrum. Low values indicate little variation along the mean spectrum. Scoring: alert increases when dynamic range is abnormally flat. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
amplitude.peak_to_peak		0.453880.00weakStrong variabilitySaturationmax(mean_spectrum) - min(mean_spectrum)alert increases when dynamic range is abnormally flat
Overall amplitudeVariance
?Variance of all finite spectral cells, in squared signal units. It combines variation across observations and channels; a small value can describe a flat signal. Scoring: alert increases when variance/dynamic range is abnormally flat. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
amplitude.variance		0.0495770.00weakNormal or heterogeneousBad contactvar(X finite)alert increases when variance/dynamic range is abnormally flat
NoiseRoughness sigma proxy
?Historical roughness sigma proxy from robust second differences. Narrow genuine bands can also raise it; this is not repeat-measured instrument noise. Scoring: alert = noise_rms / signal_scale, saturated at 5%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
noise.roughness_sigma_proxy		4.0492e-050.00weakStableLamp, detectormedian MAD(second derivative) * 1.4826 / sqrt(6)alert = noise_rms / signal_scale, saturated at 5%
NoiseRoughness S/N proxy
?Average absolute signal divided by the roughness proxy. Higher means smoother signal relative to its amplitude, not certified instrument SNR. Scoring: alert decreases with SNR dB; >=40 dB is treated as low alert. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
noise.roughness_signal_to_noise_proxy		9167.30.00weakGood signalAcquisitionmean(abs(X)) / noise_rmsalert decreases with SNR dB; >=40 dB is treated as low alert
NoiseBandwise roughness S/N proxy
?Minimum channel-wise ratio of absolute mean signal to local second-difference roughness. A smaller ratio identifies a weak or rough spectral region; genuine narrow bands and near-zero signal can also lower it. This is not certified instrument SNR. Scoring: alert decreases with worst-band SNR dB; >=35 dB is treated as low alert. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
noise.bandwise_roughness_signal_to_noise_proxy_min		155.150.00weakReliable zoneDetectormin(abs(mean_spectrum) / local second-derivative noise)alert decreases with worst-band SNR dB; >=35 dB is treated as low alert
Local artifactsSpike count
?Local narrow peaks flagged by the second-difference heuristic; real sharp spectral bands may also be flagged. Scoring: alert follows spike_rate, saturated at 1%. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.spike_count		59,3291.00strongArtifactsCosmic rays, splicecount robust outliers in second derivativealert follows spike_rate, saturated at 1%
Local artifactsSpike rate
?Fraction of tested second-difference positions flagged as spikes, displayed as a percentage. Scoring: alert = min(1, spike_rate / 0.01). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.spike_rate		7.08%1.00strongSuspicious spectrumInterpolationspike_count / (n_samples * (n_features - 2))alert = min(1, spike_rate / 0.01)
Local artifactsJump count
?Adjacent-channel changes flagged by the first-difference heuristic, potentially including detector joins. Scoring: alert follows jump_rate, saturated at 1%. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.jump_count		27,0401.00strongDetector connectionSplicecount robust outliers in first derivativealert follows jump_rate, saturated at 1%
Local artifactsJump rate
?Fraction of tested adjacent-channel differences flagged as jumps, displayed as a percentage. Scoring: alert = min(1, jump_rate / 0.01). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.jump_rate		3.22%1.00strongSpectral problemCalibrationjump_count / (n_samples * (n_features - 1))alert = min(1, jump_rate / 0.01)
Local artifactsClip fraction
?Fraction of finite cells near the observed global minimum or maximum; inspect detector limits before concluding saturation. Scoring: alert = min(1, clip_fraction / 0.01). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.clip_fraction		0.000238%0.00weakNormalDetector saturatedfraction of finite cells equal to repeated min/max extremaalert = min(1, clip_fraction / 0.01)
Spectral formBaseline slope
?Linear slope fitted to the mean spectrum over an axis normalized to 0–1. It describes total baseline change, not change per physical axis unit. Scoring: alert = abs(slope / signal_scale), saturated at 0.5. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
shape.baseline_slope		0.346421.00strongDriftIlluminationlinear slope of mean_spectrum over normalized axisalert = abs(slope / signal_scale), saturated at 0.5
Spectral formCurvature RMS
?Median per-spectrum RMS of second differences, summarizing curvature and high-frequency variation. Scoring: alert = curvature_rms / signal_scale, saturated at 1%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
shape.curvature_rms		0.000609560.13weakSmoothBackground, splicemedian RMS(second derivative per spectrum)alert = curvature_rms / signal_scale, saturated at 1%
Spectral formD1 RMS
?Median per-spectrum RMS of adjacent-channel first differences; reflects both real spectral structure and artefacts. Scoring: alert = d1_rms / signal_scale, saturated at 5%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
shape.d1_rms		0.00171330.08weakFlatBiology or artifactmedian RMS(first derivative per spectrum)alert = d1_rms / signal_scale, saturated at 5%
Multivariate outliersPCA Q (SPE)
?Q (squared prediction error) is variation left outside the retained PCA subspace. The displayed ratio compares its 95th percentile with its median. Scoring: alert = min(1, pca_q_ratio / 8). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
outliers.pca_q_ratio		6.99290.87strongAtypical spectrumArtifact, mixturep95(Q/SPE residual) / median(Q/SPE residual)alert = min(1, pca_q_ratio / 8)
Multivariate outliersHotelling T²
?Hotelling T² measures distance within the retained PCA subspace, scaled by component variance. Ratio of the 95th percentile to the median. Scoring: alert = min(1, hotelling_t2_ratio / 8). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
outliers.hotelling_t2_ratio		4.65430.58mediumExtreme but consistentNatural variabilityp95(Hotelling T2) / median(Hotelling T2)alert = min(1, hotelling_t2_ratio / 8)
Multivariate outliersMahalanobis H
?Distance from the PCA-score center after variance scaling. Ratio of the 95th percentile to the median; large values identify relatively extreme spectra. Scoring: alert = min(1, mahalanobis_h_ratio / 4). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
outliers.mahalanobis_h_ratio		2.15740.54mediumGlobal outlierDifferent domainp95(sqrt(T2)) / median(sqrt(T2))alert = min(1, mahalanobis_h_ratio / 4)
Comparison to average spectrumRMS to mean spectrum
?95th percentile of distances to the mean spectrum: 95% of observations have a distance at or below this value. Scoring: alert = RMS_p95 / signal_scale, saturated at 25%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
reference.rms_to_mean_spectrum_p95		0.325161.00strongDifferent spectrumDomain shiftp95 RMS distance to dataset mean spectrumalert = RMS_p95 / signal_scale, saturated at 25%
Comparison to average spectrumSpectral Angle Mapper (SAM)
?95th percentile of spectral angles to the dataset mean, in radians. It is less sensitive to overall amplitude than RMS. Scoring: alert = min(1, SAM_p95 / 0.35 rad). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
reference.sam_to_mean_spectrum_p95		0.639881.00strongDifferent shapeBackground, geometryp95 spectral angle to dataset mean spectrumalert = min(1, SAM_p95 / 0.35 rad)
RepeatabilityRMS intra-ID
?Within-ID root mean square deviation from the group's mean spectrum, in signal units. Repeated IDs require documentation before this spread can be called technical repeatability. Scoring: alert = RMS_intra_ID / signal_scale, saturated at 10%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
repeatability.rms_intra_id		——not calculableNot enough information to score this metric on this dataset.Positioningmedian RMS distance to repeated-sample centroidalert = RMS_intra_ID / signal_scale, saturated at 10%
RepeatabilitySAM intra-ID
?Within-ID spectral angle to the group's mean spectrum, in radians. Repeated IDs require documentation before this spread can be called technical repeatability. Scoring: alert = min(1, SAM_intra_ID / 0.15 rad). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
repeatability.sam_intra_id		——not calculableNot enough information to score this metric on this dataset.Acquisitionmedian SAM to repeated-sample centroidalert = min(1, SAM_intra_ID / 0.15 rad)
RepeatabilityCV intra-ID
?Within-ID coefficient of variation: standard deviation relative to absolute mean; unstable near zero signal. Repeated IDs require documentation before this spread can be called technical repeatability. Scoring: alert = min(1, CV_intra_ID / 0.25). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
repeatability.cv_intra_id		——not calculableNot enough information to score this metric on this dataset.Operatormedian within-ID band CValert = min(1, CV_intra_ID / 0.25)
Structure of the datasetPCA score density
?Inverse median distance to nearby observations in retained PCA-score space. Larger raw values mean more closely spaced observations; scale depends on the PCA representation. The alert uses density variation, so raw density alone does not establish an anomaly. Scoring: alert follows density_cv/profile structure complexity, not raw density alone. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
structure.pca_score_density		0.658360.83strongSubpopulationsDifferent batches1 / median kNN distance in PCA score spacealert follows density_cv/profile structure complexity, not raw density alone
Structure of the datasetkNN distance ratio (not LOF)
?95th percentile of mean k-nearest-neighbor distance divided by the population median of that distance, in PCA-score space. Values above 1 indicate an upper tail with more isolated observations; valid rare spectra can also be isolated. This distance ratio is not the Local Outlier Factor algorithm. Scoring: alert = min(1, max(0, kNN_distance_ratio_p95 - 1) / 2). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
structure.knn_distance_ratio_p95		2.49680.75strongIsolated spectrumRare casesp95(mean kNN distance / median population mean kNN distance) in PCA-score space; not LOFalert = min(1, max(0, kNN_distance_ratio_p95 - 1) / 2)
Structure of the datasetIsolation Forest score
?95th percentile of the negated Isolation Forest score in retained PCA-score space. Larger raw scores indicate easier isolation under that model; the scale is implementation-dependent. The displayed alert reuses structure complexity rather than directly mapping this raw score. Scoring: alert follows structure complexity; raw score is implementation-dependent. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
structure.isolation_forest_score_p95		0.547940.83strongAtypical spectrumVarious causesp95 IsolationForest anomaly score on PCA scoresalert follows structure complexity; raw score is implementation-dependent

PCA score plot — explore spectral variation

Source ASD FieldSpec averaged NIR: 390 of 390 source observations are plotted. PC1 captures 76.9% and PC2 12.2% of the reported spectral variance: 89.1% together; 10.9% remains outside this view.

Principal component analysis (PCA) summarizes spectral differences without using targets. The horizontal PC1 axis captures the largest variation; vertical PC2 captures the next largest direction of variation. Each dot is one observation; repeated measurements need not be distinct samples. Scores are projection coordinates, not wavelengths or target values. Nearby dots have similar projections; separate groups or isolated dots are leads to inspect in the original spectra and acquisition metadata. Overlapping dots can differ in omitted dimensions. The dots have no class or batch labels, so this view cannot identify groups, confirm defective observations, explain a chemical cause or measure prediction accuracy.

ASD FieldSpec averaged NIR PCA score plot-40-2002040-1001020PC1 -4.328 · PC2 -2.46PC1 -2.978 · PC2 -1.582PC1 -1.643 · PC2 -1.028PC1 -4.572 · PC2 0.006912PC1 -2.528 · PC2 0.3747PC1 -3.705 · PC2 0.1342PC1 -3.081 · PC2 -0.05424PC1 -1.44 · PC2 0.1323PC1 -1.515 · PC2 -0.05509PC1 -1.352 · PC2 -0.03105PC1 -3.251 · PC2 -0.4825PC1 -6.331 · PC2 -3.111PC1 -2.526 · PC2 -0.8041PC1 -2.025 · PC2 -0.8863PC1 -5.139 · PC2 -1.518PC1 0.117 · PC2 3.338PC1 2.85 · PC2 2.858PC1 -0.1488 · PC2 1.99PC1 -0.1473 · PC2 1.741PC1 0.3097 · PC2 1.707PC1 -0.709 · PC2 1.179PC1 -1.782 · PC2 0.5978PC1 -6.058 · PC2 -3.223PC1 -1.126 · PC2 -0.001016PC1 -0.9261 · PC2 -0.4769PC1 -2.401 · PC2 -0.8967PC1 -1.821 · PC2 -1.115PC1 7.606 · PC2 4.651PC1 5.049 · PC2 3.009PC1 1.418 · PC2 1.326PC1 -1.313 · PC2 0.2902PC1 0.8262 · PC2 0.6454PC1 0.6442 · PC2 0.3586PC1 -6.127 · PC2 -3.078PC1 -2.166 · PC2 -0.4843PC1 -2.501 · PC2 -0.6821PC1 -2.94 · PC2 -1.049PC1 -0.9061 · PC2 -1.168PC1 -3.165 · PC2 -1.525PC1 -0.1447 · PC2 1.282PC1 0.1899 · PC2 1.259PC1 0.3692 · PC2 1.083PC1 -1.557 · PC2 0.4432PC1 -0.4491 · PC2 0.2701PC1 -5.472 · PC2 -2.999PC1 -0.2014 · PC2 0.01532PC1 -1.361 · PC2 -0.1839PC1 -4.261 · PC2 -0.6088PC1 1.16 · PC2 -0.4638PC1 -4.353 · PC2 -1.261PC1 -3.342 · PC2 -1.548PC1 5.397 · PC2 3.949PC1 2.971 · PC2 3.181PC1 0.005817 · PC2 1.286PC1 1.341 · PC2 1.132PC1 -5.353 · PC2 -2.667PC1 1.653 · PC2 0.6394PC1 -0.6304 · PC2 -0.2681PC1 -1.575 · PC2 -0.4354PC1 -3.765 · PC2 -0.8563PC1 -3.978 · PC2 -1.478PC1 -3.54 · PC2 -1.436PC1 -2.029 · PC2 -1.595PC1 -0.203 · PC2 1.707PC1 1.039 · PC2 1.759PC1 -1.317 · PC2 0.3478PC1 -5.345 · PC2 -2.449PC1 1.671 · PC2 0.4891PC1 -0.4499 · PC2 0.3118PC1 0.6568 · PC2 -0.301PC1 0.7805 · PC2 -0.144PC1 -1.963 · PC2 -1.316PC1 -2.073 · PC2 -1.343PC1 -0.8465 · PC2 -1.145PC1 -3.813 · PC2 -1.792PC1 4.831 · PC2 4.493PC1 0.9466 · PC2 2.192PC1 -1.2 · PC2 -1.578PC1 3.029 · PC2 2.276PC1 1.128 · PC2 1.367PC1 -2.125 · PC2 0.45PC1 -0.6585 · PC2 0.3359PC1 -0.5737 · PC2 -0.3934PC1 -1.971 · PC2 -0.7266PC1 -2.812 · PC2 -0.9743PC1 -2.441 · PC2 -1.189PC1 -1.026 · PC2 -1.402PC1 -1.894 · PC2 -1.628PC1 2.066 · PC2 -9.096PC1 1.106 · PC2 4.057PC1 8.478 · PC2 4.998PC1 3.692 · PC2 2.515PC1 0.1827 · PC2 0.3981PC1 -4.242 · PC2 -1.668PC1 -4.025 · PC2 -1.595PC1 -0.8774 · PC2 -1.727PC1 -5.428 · PC2 -2.805PC1 2.36 · PC2 0.459PC1 -1.937 · PC2 -1.119PC1 3.928 · PC2 -0.3091PC1 0.2766 · PC2 0.3095PC1 2.336 · PC2 1.186PC1 -0.2487 · PC2 -0.008901PC1 9.841 · PC2 2.895PC1 3.766 · PC2 0.07414PC1 -1.908 · PC2 -2.982PC1 -4.068 · PC2 -3.162PC1 2.038 · PC2 -0.4986PC1 12.84 · PC2 4.774PC1 -2.548 · PC2 0.6424PC1 7.171 · PC2 8.051PC1 -1.281 · PC2 1.473PC1 -2.629 · PC2 0.3149PC1 5.499 · PC2 6.459PC1 -6.206 · PC2 -2.387PC1 1.274 · PC2 0.391PC1 2.54 · PC2 3.741PC1 -0.463 · PC2 0.6114PC1 3.244 · PC2 3.715PC1 -2.989 · PC2 -0.7293PC1 -1.214 · PC2 -3.708PC1 -1.475 · PC2 -0.6924PC1 -3.238 · PC2 -0.03333PC1 1.314 · PC2 0.1702PC1 -0.8848 · PC2 -2.343PC1 -4.398 · PC2 -0.9418PC1 1.894 · PC2 2.079PC1 -4.684 · PC2 0.08224PC1 1.192 · PC2 2.237PC1 -2.219 · PC2 -0.3238PC1 -1.854 · PC2 0.4626PC1 -1.926 · PC2 -0.2847PC1 -3.492 · PC2 -0.65PC1 -4.02 · PC2 -0.7027PC1 -2.504 · PC2 0.8108PC1 -1.355 · PC2 1.316PC1 1.377 · PC2 3.63PC1 2.271 · PC2 2.469PC1 1.778 · PC2 1.609PC1 4.456 · PC2 4.597PC1 0.9514 · PC2 2.674PC1 -1.658 · PC2 -0.2151PC1 9.118 · PC2 -2.746PC1 4.895 · PC2 -3.279PC1 3.642 · PC2 -3.167PC1 4.648 · PC2 -3.934PC1 4.752 · PC2 -2.155PC1 5.417 · PC2 -0.1081PC1 4.275 · PC2 -3.203PC1 5.741 · PC2 -3.746PC1 -1.365 · PC2 -1.955PC1 -0.09721 · PC2 -0.03044PC1 2.051 · PC2 -3.74PC1 7.608 · PC2 -4.31PC1 2.869 · PC2 -2.447PC1 2.045 · PC2 -1.619PC1 2.714 · PC2 -1.907PC1 -0.7549 · PC2 -0.0009454PC1 5.89 · PC2 -4.58PC1 2.208 · PC2 -1.386PC1 7.038 · PC2 -3.442PC1 0.6911 · PC2 -1.835PC1 5.442 · PC2 -3.823PC1 1.893 · PC2 -2.573PC1 1.02 · PC2 -1.674PC1 0.7163 · PC2 -1.381PC1 2.28 · PC2 -4.751PC1 2.375 · PC2 -4.285PC1 2.169 · PC2 -1.846PC1 8.748 · PC2 -2.479PC1 25.04 · PC2 -1.831PC1 -0.2477 · PC2 -2.047PC1 -0.5005 · PC2 -2.438PC1 4.34 · PC2 -2.424PC1 0.213 · PC2 -2.509PC1 1.379 · PC2 -3.27PC1 1.943 · PC2 -1.886PC1 4.405 · PC2 -4.28PC1 0.9964 · PC2 -1.411PC1 2.976 · PC2 -3.543PC1 0.7599 · PC2 -0.5829PC1 1.924 · PC2 -3.129PC1 -1.1 · PC2 -3.371PC1 3.752 · PC2 -4.267PC1 1.918 · PC2 -5.422PC1 1.476 · PC2 -4.853PC1 2.267 · PC2 -4.854PC1 1.48 · PC2 -2.826PC1 5.624 · PC2 -3.386PC1 3.355 · PC2 -3.361PC1 2.3 · PC2 -3.361PC1 0.8414 · PC2 -2.279PC1 3.791 · PC2 -4.617PC1 2.009 · PC2 -2.612PC1 0.677 · PC2 -3.803PC1 9.128 · PC2 -2.759PC1 6.766 · PC2 -2.585PC1 2.379 · PC2 -1.752PC1 2.538 · PC2 -3.264PC1 2.835 · PC2 -1.777PC1 3.088 · PC2 -3.494PC1 2.68 · PC2 -4.56PC1 0.3249 · PC2 -4.136PC1 1.016 · PC2 -3.065PC1 3.925 · PC2 -7.194PC1 -2.717 · PC2 -1.131PC1 1.166 · PC2 -2.329PC1 -1.929 · PC2 -2.589PC1 0.8587 · PC2 -1.467PC1 4.996 · PC2 -5.29PC1 5.705 · PC2 -6.598PC1 4.099 · PC2 -1.492PC1 1.925 · PC2 -3.288PC1 -13.51 · PC2 -1.049PC1 -9.934 · PC2 0.468PC1 -10.4 · PC2 -0.4076PC1 -7.498 · PC2 -0.6963PC1 -15.7 · PC2 -1.329PC1 -13.95 · PC2 -0.5067PC1 -13.39 · PC2 0.2667PC1 -3.83 · PC2 2.92PC1 -13.72 · PC2 -1.013PC1 -11.6 · PC2 -1.082PC1 -9.771 · PC2 3.452PC1 -4.969 · PC2 6.813PC1 -8.746 · PC2 0.4313PC1 -8.802 · PC2 0.1204PC1 1.163 · PC2 9.697PC1 -2.416 · PC2 7.628PC1 -8.923 · PC2 0.755PC1 -15.38 · PC2 -1.624PC1 -6.651 · PC2 0.8557PC1 -10.19 · PC2 0.783PC1 0.6297 · PC2 10.79PC1 -6.899 · PC2 3.643PC1 -11.34 · PC2 -0.8815PC1 -13.24 · PC2 -1.117PC1 -11.17 · PC2 -2.655PC1 -10.83 · PC2 1.139PC1 -8.415 · PC2 1.532PC1 -8.808 · PC2 -0.0008328PC1 -11.92 · PC2 0.2813PC1 -9.706 · PC2 -0.8924PC1 -6.784 · PC2 1.442PC1 -1.439 · PC2 7.458PC1 5.787 · PC2 12.76PC1 -9.985 · PC2 1.307PC1 -12.74 · PC2 -0.4654PC1 -2.795 · PC2 3.41PC1 -12.8 · PC2 -1.048PC1 -8.728 · PC2 1.984PC1 -8.443 · PC2 -1.355PC1 -9.101 · PC2 -0.4189PC1 -3.051 · PC2 3.709PC1 -9.017 · PC2 -0.3457PC1 -8.065 · PC2 0.6074PC1 -9.112 · PC2 -1.245PC1 -10.77 · PC2 0.2187PC1 4.959 · PC2 1.399PC1 0.6877 · PC2 2.318PC1 -14.18 · PC2 -1.911PC1 -3.4 · PC2 3.267PC1 -6.885 · PC2 7.904PC1 -0.977 · PC2 2.495PC1 5.765 · PC2 5.858PC1 -10.86 · PC2 -0.1982PC1 -2.879 · PC2 3.185PC1 -4.438 · PC2 1.047PC1 -7.241 · PC2 3.416PC1 -6.566 · PC2 5.106PC1 -8.377 · PC2 1.725PC1 -12.44 · PC2 -0.4178PC1 -8.426 · PC2 1.349PC1 -1.077 · PC2 11.57PC1 -8.356 · PC2 -0.3989PC1 -5.802 · PC2 0.3821PC1 -3.132 · PC2 2.923PC1 -11.99 · PC2 0.6191PC1 -12.37 · PC2 0.6547PC1 -9.935 · PC2 1.056PC1 -7.862 · PC2 2.977PC1 -12.82 · PC2 -1.087PC1 -9.979 · PC2 0.5181PC1 -6.071 · PC2 4.721PC1 -6.098 · PC2 4.26PC1 -13.07 · PC2 -1.504PC1 3.544 · PC2 8.999PC1 -9.786 · PC2 2.756PC1 -6.959 · PC2 2.968PC1 -8.617 · PC2 1.304PC1 -10.56 · PC2 0.6202PC1 7.407 · PC2 8.64PC1 4.963 · PC2 13.6PC1 -9.757 · PC2 0.3442PC1 -6.07 · PC2 -1.204PC1 -3.757 · PC2 7.812PC1 -11.5 · PC2 -1.091PC1 -11.82 · PC2 1.089PC1 -5.307 · PC2 1.751PC1 -10.66 · PC2 -1.66PC1 -9.359 · PC2 0.8149PC1 -8.714 · PC2 1.884PC1 -13.42 · PC2 -1.863PC1 -10.43 · PC2 0.8973PC1 -10.71 · PC2 0.9104PC1 -8.7 · PC2 0.6389PC1 -4.528 · PC2 2.544PC1 -3.468 · PC2 7.81PC1 -12.85 · PC2 -1.239PC1 -5.186 · PC2 0.8022PC1 -9.137 · PC2 0.5495PC1 6.402 · PC2 10.94PC1 -1.447 · PC2 5.496PC1 -10.86 · PC2 -0.5044PC1 -14.06 · PC2 -0.8817PC1 -10.92 · PC2 -0.579PC1 -3.028 · PC2 2.543PC1 -25.19 · PC2 -7.909PC1 0.5268 · PC2 2.673PC1 9.235 · PC2 -0.2828PC1 5.185 · PC2 1.516PC1 16.89 · PC2 -0.08046PC1 9.997 · PC2 -0.07077PC1 18.78 · PC2 0.02951PC1 17.64 · PC2 -1.645PC1 10.34 · PC2 -1.147PC1 11.98 · PC2 -0.6336PC1 8.529 · PC2 0.001767PC1 8.013 · PC2 -1.064PC1 10.7 · PC2 -1.479PC1 19.2 · PC2 -0.03015PC1 18.61 · PC2 -0.4078PC1 3.513 · PC2 -0.4999PC1 13.68 · PC2 -1.282PC1 14.58 · PC2 0.3099PC1 17.93 · PC2 -0.2334PC1 16.56 · PC2 -0.7845PC1 6.329 · PC2 -0.9183PC1 6.705 · PC2 1.033PC1 15.31 · PC2 -0.5138PC1 15.05 · PC2 -1.377PC1 13.43 · PC2 1.091PC1 16.03 · PC2 -0.01563PC1 10.19 · PC2 -0.5356PC1 9.359 · PC2 -0.9503PC1 8.319 · PC2 0.08586PC1 6.121 · PC2 -4.754PC1 -4.082 · PC2 0.7393PC1 14.63 · PC2 0.5966PC1 -2.625 · PC2 -1.125PC1 4.679 · PC2 0.2276PC1 4.788 · PC2 -0.04352PC1 10.87 · PC2 -3.286PC1 11.59 · PC2 -3.945PC1 19.15 · PC2 2.302PC1 8.214 · PC2 -1.232PC1 4.225 · PC2 0.4611PC1 9.927 · PC2 0.8617PC1 8.564 · PC2 2.227PC1 9.104 · PC2 -1.41PC1 10.59 · PC2 3.782PC1 9.718 · PC2 -0.9045PC1 10.22 · PC2 -1.158PC1 6.003 · PC2 1.379PC1 11.26 · PC2 -1.25PC1 7.14 · PC2 -0.1441PC1 1.168 · PC2 0.6305PC1 16.51 · PC2 2.083PC1 5.549 · PC2 -2.454PC1 3.171 · PC2 -2.971PC1 6.926 · PC2 0.5816PC1 19.36 · PC2 0.6339PC1 6.92 · PC2 -0.8298PC1 21.85 · PC2 -0.3641PC1 2.749 · PC2 -0.5728PC1 3.838 · PC2 0.2396PC1 8.959 · PC2 -0.5258PC1 8.052 · PC2 0.1705PC1 5.197 · PC2 -0.5612PC1 6.323 · PC2 0.1217PC1 11.11 · PC2 -1.005PC1 10.23 · PC2 1.889PC1 3.739 · PC2 -0.7181PC1 11.49 · PC2 -1.351PC1 6.797 · PC2 1.727PC1 4.957 · PC2 -0.3523PC1 7.346 · PC2 2.273PC1 5.966 · PC2 -1.141PC1 4.817 · PC2 -1.181PC1 4.404 · PC2 0.8138PC1 (76.9%)PC2 (12.2%)390 scores
View plotted PCA coordinates

Point numbers identify rows in this displayed coordinate list, not original observation or sample IDs. Non-integer coordinates use up to five significant digits. Original IDs, component loadings, preprocessing details and the observation selection method are not supplied with this plot.

Plotted observation positions (not original sample IDs)
PointPC1 scorePC2 score
1-4.3281-2.4604
2-2.9785-1.5821
3-1.6425-1.0283
4-4.57150.0069116
5-2.52810.37467
6-3.70480.13423
7-3.081-0.054242
8-1.44040.13226
9-1.5155-0.055088
10-1.352-0.031048
11-3.2513-0.48253
12-6.3314-3.1106
13-2.5257-0.8041
14-2.0249-0.88628
15-5.1392-1.5184
160.117033.3384
172.85032.8577
18-0.148821.9904
19-0.147331.7407
200.309661.7069
21-0.709021.1791
22-1.78210.5978
23-6.058-3.2226
24-1.1256-0.0010156
25-0.92609-0.47691
26-2.4006-0.89674
27-1.8209-1.1153
287.60644.651
295.04873.0092
301.41821.3262
31-1.31310.29022
320.826190.64538
330.644160.35861
34-6.1268-3.0776
35-2.1656-0.48427
36-2.5008-0.68207
37-2.9401-1.0487
38-0.90607-1.1682
39-3.1649-1.5252
40-0.144711.2823
410.189931.259
420.369171.0835
43-1.55710.44316
44-0.449110.27013
45-5.4723-2.9986
46-0.201390.015321
47-1.3608-0.18389
48-4.2613-0.60881
491.1597-0.46381
50-4.3532-1.261
51-3.342-1.5476
525.39693.9486
532.97083.1806
540.00581731.2859
551.34141.1323
56-5.3534-2.6666
571.65260.63941
58-0.63041-0.26807
59-1.5752-0.43537
60-3.7647-0.85635
61-3.9784-1.4779
62-3.5402-1.4362
63-2.0291-1.5952
64-0.202991.7066
651.03941.7585
66-1.31680.34782
67-5.3452-2.4488
681.6710.48906
69-0.449920.31183
700.65683-0.301
710.78053-0.144
72-1.9633-1.3163
73-2.0734-1.3431
74-0.84652-1.1448
75-3.8129-1.7922
764.83134.4928
770.946572.1923
78-1.2-1.5784
793.02942.2761
801.12761.3666
81-2.1250.44997
82-0.658450.33588
83-0.57372-0.39343
84-1.9706-0.72657
85-2.8116-0.97429
86-2.4411-1.1892
87-1.0256-1.402
88-1.8936-1.6284
892.0665-9.0959
901.1064.0574
918.47844.9976
923.69242.5151
930.182720.39806
94-4.2417-1.6678
95-4.0255-1.5946
96-0.87739-1.7275
97-5.4279-2.8052
982.35990.45899
99-1.9369-1.1193
1003.9282-0.30906
1010.276610.30948
1022.33561.1864
103-0.24872-0.0089006
1049.84122.8947
1053.76630.074139
106-1.9078-2.9824
107-4.0684-3.1624
1082.0382-0.4986
10912.8444.7739
110-2.54850.64236
1117.17148.0509
112-1.2811.4726
113-2.62940.31489
1145.49946.4591
115-6.2063-2.3866
1161.27380.39097
1172.54023.7408
118-0.463020.61141
1193.24373.7149
120-2.9885-0.72932
121-1.2137-3.7085
122-1.4751-0.69243
123-3.2381-0.033332
1241.3140.17024
125-0.88484-2.3433
126-4.3982-0.94176
1271.89432.0786
128-4.68420.082238
1291.19172.2366
130-2.2189-0.32377
131-1.85370.46261
132-1.9262-0.28467
133-3.4921-0.65004
134-4.0196-0.70266
135-2.50380.81085
136-1.35491.316
1371.37743.6301
1382.27122.4688
1391.7781.6092
1404.45594.5971
1410.951382.6741
142-1.6581-0.21507
1439.1182-2.7464
1444.8953-3.2792
1453.6425-3.1671
1464.6482-3.9339
1474.7518-2.1554
1485.4171-0.10807
1494.2751-3.2034
1505.7407-3.7455
151-1.365-1.9548
152-0.097212-0.030445
1532.0508-3.7401
1547.6077-4.3099
1552.8693-2.4469
1562.0449-1.6189
1572.7136-1.9068
158-0.75486-0.00094543
1595.89-4.5797
1602.208-1.3858
1617.0378-3.4425
1620.69109-1.8347
1635.4422-3.8229
1641.8931-2.5731
1651.0196-1.6743
1660.71632-1.3809
1672.2797-4.7509
1682.3745-4.2845
1692.1693-1.8461
1708.7476-2.4787
17125.035-1.8311
172-0.2477-2.0466
173-0.50047-2.4378
1744.3397-2.4241
1750.21303-2.5087
1761.3785-3.2701
1771.9426-1.8856
1784.405-4.2803
1790.9964-1.4109
1802.9755-3.5426
1810.75989-0.58288
1821.9244-3.1291
183-1.1-3.3711
1843.7515-4.2665
1851.9182-5.4216
1861.4757-4.8526
1872.2674-4.8535
1881.4796-2.8257
1895.624-3.3862
1903.3549-3.3607
1912.3003-3.3608
1920.84142-2.2791
1933.7912-4.6169
1942.0091-2.6124
1950.67701-3.8026
1969.1277-2.7591
1976.7662-2.5853
1982.3791-1.7521
1992.5377-3.264
2002.8346-1.7771
2013.0878-3.4935
2022.6797-4.5597
2030.32486-4.1364
2041.0156-3.0646
2053.9255-7.1944
206-2.7175-1.1309
2071.1657-2.3292
208-1.9288-2.5888
2090.85867-1.4674
2104.9957-5.2902
2115.7051-6.5979
2124.0993-1.492
2131.9252-3.2877
214-13.508-1.0489
215-9.93410.46801
216-10.398-0.40763
217-7.4984-0.69627
218-15.696-1.3294
219-13.953-0.50673
220-13.3910.26674
221-3.83052.9199
222-13.719-1.0128
223-11.596-1.0818
224-9.77063.4519
225-4.96896.8127
226-8.74570.43129
227-8.80230.12036
2281.16299.697
229-2.41557.6279
230-8.92330.75504
231-15.383-1.6237
232-6.65120.85572
233-10.1890.78298
2340.6297310.79
235-6.89853.6432
236-11.337-0.8815
237-13.239-1.1167
238-11.174-2.6551
239-10.8331.1391
240-8.41511.5316
241-8.8083-0.00083276
242-11.9170.28128
243-9.7059-0.89243
244-6.78381.4424
245-1.43897.458
2465.786712.759
247-9.98521.3074
248-12.737-0.46544
249-2.79493.4103
250-12.796-1.0479
251-8.72831.9839
252-8.443-1.3554
253-9.1006-0.41893
254-3.05113.7086
255-9.0171-0.34573
256-8.06490.60742
257-9.1117-1.2454
258-10.7690.21867
2594.95941.3992
2600.687722.3183
261-14.179-1.9114
262-3.39963.2673
263-6.88527.9039
264-0.976972.4949
2655.76475.8575
266-10.864-0.19823
267-2.87893.1846
268-4.43761.0467
269-7.24083.4163
270-6.56625.1062
271-8.3771.725
272-12.441-0.41783
273-8.42591.3487
274-1.076711.574
275-8.356-0.39887
276-5.80160.38205
277-3.13252.9233
278-11.9950.61914
279-12.3740.65471
280-9.93541.056
281-7.86182.9767
282-12.819-1.0868
283-9.9790.51807
284-6.07154.7215
285-6.0984.2598
286-13.074-1.5041
2873.54428.999
288-9.78572.7565
289-6.95862.9684
290-8.61741.304
291-10.5640.62021
2927.40748.6404
2934.962913.598
294-9.75730.34424
295-6.07-1.2042
296-3.75747.812
297-11.505-1.0914
298-11.821.0894
299-5.30721.7507
300-10.661-1.6604
301-9.35890.81487
302-8.71391.8843
303-13.42-1.8627
304-10.4330.89729
305-10.7130.91038
306-8.70040.63891
307-4.5282.5445
308-3.46847.81
309-12.848-1.2394
310-5.18570.80215
311-9.13730.54954
3126.40210.936
313-1.44665.4958
314-10.865-0.50435
315-14.057-0.88171
316-10.916-0.57902
317-3.0282.5434
318-25.187-7.909
3190.526812.6733
3209.2354-0.28275
3215.18461.5161
32216.892-0.080465
3239.9967-0.070772
32418.7760.029512
32517.645-1.645
32610.336-1.147
32711.977-0.63361
3288.52880.0017669
3298.0132-1.0637
33010.697-1.4791
33119.198-0.030153
33218.613-0.40785
3333.5127-0.49991
33413.677-1.2817
33514.5830.3099
33617.934-0.23345
33716.563-0.78449
3386.329-0.91825
3396.70491.0326
34015.312-0.51384
34115.054-1.3774
34213.4351.0914
34316.034-0.015627
34410.185-0.53559
3459.3588-0.95031
3468.31880.085858
3476.1211-4.7539
348-4.08240.73928
34914.6260.59656
350-2.6249-1.1254
3514.67910.22756
3524.7882-0.04352
35310.872-3.2857
35411.59-3.9454
35519.1532.3016
3568.2138-1.2319
3574.22540.46109
3589.9270.86173
3598.56372.227
3609.104-1.4103
36110.5853.7823
3629.7177-0.90449
36310.219-1.1578
3646.00271.3789
36511.261-1.25
3667.1399-0.14409
3671.16850.63047
36816.5082.0827
3695.5486-2.4537
3703.1714-2.9715
3716.92650.58158
37219.3560.63388
3736.9201-0.82978
37421.85-0.3641
3752.7493-0.57279
3763.83760.23962
3778.959-0.52577
3788.05240.17051
3795.1974-0.56124
3806.32320.12168
38111.112-1.0051
38210.2331.8893
3833.7392-0.71812
38411.49-1.3505
3856.79731.7273
3864.9566-0.35226
3877.34562.2733
3885.9662-1.1406
3894.8167-1.1811
3904.40440.81376

PCA explained variance — how many dimensions?

Each bar reports the share of spectral variance explained by a component. Concentration in the first components indicates correlated wavelengths. This is not variance explained in the prediction target. This projection may use a different observation sample from the score plot.

PCA explained variance0%25%50%75%100%PC1: 76.9% (cumulative 76.9%)1PC2: 12.2% (cumulative 89.1%)2PC3: 4.1% (cumulative 93.2%)3PC4: 1.8% (cumulative 95.0%)4PC5: 1.5% (cumulative 96.6%)5PC6: 1.2% (cumulative 97.7%)6PC7: 0.5% (cumulative 98.2%)7PC8: 0.4% (cumulative 98.6%)8PC9: 0.3% (cumulative 98.9%)9PC10: 0.2% (cumulative 99.1%)10cumulative explained variancePC variancecumulativeprincipal component · cumulative (dashed)
View explained variance values
Variance per displayed principal component
ComponentSpectral variance
PC176.89%
PC212.23%
PC34.08%
PC41.84%
PC51.52%
PC61.16%
PC70.52%
PC80.39%
PC90.31%
PC100.20%

Viavi MicroNIR averaged NIR

X_micronir · NIR · Viavi MicroNIR

Read the signal and variation summaries for this source. Axis unit: nm; signal representation: not recorded.

Spectral signal summary

The mean and median describe the typical signal at each channel; shaded bands show the 25th–75th and 5th–95th percentiles across observations. A wider band means greater variation, which can be biological or instrumental.

Viavi MicroNIR averaged NIR spectra-0.20.00.20.40.68001,0001,2001,4001,6001,800q05-q95 envelopeq25-q75 envelopemedian spectrummedianq25–q75q05–q95wavelength / nm908.1nm — median 0.1231 (q25–q75 0.09585–0.1999)914.29nm — median 0.11 (q25–q75 0.08394–0.1812)920.49nm — median 0.09906 (q25–q75 0.07409–0.1656)926.68nm — median 0.08738 (q25–q75 0.06349–0.1512)932.88nm — median 0.07694 (q25–q75 0.05269–0.1376)939.07nm — median 0.06685 (q25–q75 0.04293–0.1225)945.27nm — median 0.05897 (q25–q75 0.03606–0.1109)951.46nm — median 0.05334 (q25–q75 0.03169–0.104)957.65nm — median 0.04996 (q25–q75 0.02865–0.1007)963.85nm — median 0.04648 (q25–q75 0.02582–0.09821)970.04nm — median 0.04422 (q25–q75 0.02406–0.09556)976.24nm — median 0.04343 (q25–q75 0.02281–0.09386)982.43nm — median 0.04242 (q25–q75 0.02243–0.09399)988.63nm — median 0.04231 (q25–q75 0.02236–0.09377)994.82nm — median 0.04279 (q25–q75 0.02221–0.09433)1001nm — median 0.0426 (q25–q75 0.02198–0.09478)1007.2nm — median 0.04298 (q25–q75 0.02171–0.09568)1013.4nm — median 0.04293 (q25–q75 0.02171–0.09641)1019.6nm — median 0.04248 (q25–q75 0.02139–0.09641)1025.8nm — median 0.04186 (q25–q75 0.02052–0.09547)1032nm — median 0.04131 (q25–q75 0.02032–0.09501)1038.2nm — median 0.04048 (q25–q75 0.0196–0.0943)1044.4nm — median 0.0396 (q25–q75 0.01927–0.09402)1050.6nm — median 0.03907 (q25–q75 0.01872–0.09354)1056.8nm — median 0.03881 (q25–q75 0.01859–0.0925)1063nm — median 0.03855 (q25–q75 0.01878–0.09199)1069.2nm — median 0.03817 (q25–q75 0.01855–0.09159)1075.3nm — median 0.03784 (q25–q75 0.01855–0.09206)1081.5nm — median 0.03743 (q25–q75 0.01849–0.09185)1087.7nm — median 0.03699 (q25–q75 0.01868–0.09158)1093.9nm — median 0.0374 (q25–q75 0.01897–0.09139)1100.1nm — median 0.03915 (q25–q75 0.02001–0.09149)1106.3nm — median 0.04076 (q25–q75 0.02156–0.09157)1112.5nm — median 0.04489 (q25–q75 0.0256–0.09722)1118.7nm — median 0.04997 (q25–q75 0.03036–0.1071)1124.9nm — median 0.05699 (q25–q75 0.03651–0.1202)1131.1nm — median 0.06561 (q25–q75 0.0425–0.1295)1137.3nm — median 0.07136 (q25–q75 0.04723–0.1364)1143.5nm — median 0.07235 (q25–q75 0.04877–0.1361)1149.7nm — median 0.07134 (q25–q75 0.04804–0.1342)1155.9nm — median 0.07364 (q25–q75 0.04897–0.135)1162.1nm — median 0.07768 (q25–q75 0.05009–0.1382)1168.3nm — median 0.082 (q25–q75 0.0512–0.1434)1174.5nm — median 0.08519 (q25–q75 0.05287–0.1518)1180.7nm — median 0.08251 (q25–q75 0.05154–0.1555)1186.8nm — median 0.07803 (q25–q75 0.04907–0.1506)1193nm — median 0.07402 (q25–q75 0.04791–0.1491)1199.2nm — median 0.07194 (q25–q75 0.04562–0.1472)1205.4nm — median 0.06782 (q25–q75 0.0445–0.1448)1211.6nm — median 0.06597 (q25–q75 0.04216–0.1409)1217.8nm — median 0.06466 (q25–q75 0.0401–0.1375)1224nm — median 0.06211 (q25–q75 0.03853–0.1325)1230.2nm — median 0.0606 (q25–q75 0.03694–0.1293)1236.4nm — median 0.05921 (q25–q75 0.03579–0.126)1242.6nm — median 0.05826 (q25–q75 0.03496–0.1242)1248.8nm — median 0.05787 (q25–q75 0.03474–0.1255)1255nm — median 0.05673 (q25–q75 0.03436–0.1234)1261.2nm — median 0.05654 (q25–q75 0.03413–0.1212)1267.4nm — median 0.05693 (q25–q75 0.03427–0.1202)1273.6nm — median 0.05723 (q25–q75 0.03459–0.1192)1279.8nm — median 0.05654 (q25–q75 0.03489–0.118)1286nm — median 0.05582 (q25–q75 0.03479–0.1172)1292.2nm — median 0.05567 (q25–q75 0.03475–0.1172)1298.3nm — median 0.05598 (q25–q75 0.03522–0.1187)1304.5nm — median 0.05644 (q25–q75 0.03615–0.1192)1310.7nm — median 0.05697 (q25–q75 0.03746–0.1206)1316.9nm — median 0.05854 (q25–q75 0.03863–0.1225)1323.1nm — median 0.06128 (q25–q75 0.0405–0.1243)1329.3nm — median 0.06541 (q25–q75 0.04386–0.1298)1335.5nm — median 0.07194 (q25–q75 0.05009–0.1348)1341.7nm — median 0.07889 (q25–q75 0.05544–0.1435)1347.9nm — median 0.08499 (q25–q75 0.0605–0.1556)1354.1nm — median 0.09143 (q25–q75 0.06485–0.163)1360.3nm — median 0.09744 (q25–q75 0.06958–0.1693)1366.5nm — median 0.1015 (q25–q75 0.07373–0.1773)1372.7nm — median 0.1053 (q25–q75 0.07659–0.1827)1378.9nm — median 0.1068 (q25–q75 0.07726–0.1851)1385.1nm — median 0.1081 (q25–q75 0.07805–0.1843)1391.3nm — median 0.1084 (q25–q75 0.07883–0.1922)1397.5nm — median 0.1088 (q25–q75 0.07886–0.1932)1403.6nm — median 0.111 (q25–q75 0.07933–0.1938)1409.8nm — median 0.1157 (q25–q75 0.08303–0.1989)1416nm — median 0.1216 (q25–q75 0.08442–0.2105)1422.2nm — median 0.1281 (q25–q75 0.08556–0.2126)1428.4nm — median 0.135 (q25–q75 0.08622–0.219)1434.6nm — median 0.1403 (q25–q75 0.08597–0.2233)1440.8nm — median 0.1442 (q25–q75 0.08653–0.2273)1447nm — median 0.1476 (q25–q75 0.08685–0.2269)1453.2nm — median 0.1512 (q25–q75 0.0866–0.23)1459.4nm — median 0.1536 (q25–q75 0.08576–0.242)1465.6nm — median 0.1573 (q25–q75 0.08466–0.2523)1471.8nm — median 0.1589 (q25–q75 0.08427–0.2591)1478nm — median 0.1638 (q25–q75 0.08377–0.2659)1484.2nm — median 0.1674 (q25–q75 0.08374–0.2709)1490.4nm — median 0.1709 (q25–q75 0.08273–0.2722)1496.6nm — median 0.1709 (q25–q75 0.0834–0.278)1502.8nm — median 0.1723 (q25–q75 0.08414–0.2742)1509nm — median 0.1728 (q25–q75 0.08622–0.2699)1515.1nm — median 0.1706 (q25–q75 0.08892–0.269)1521.3nm — median 0.1691 (q25–q75 0.08948–0.2678)1527.5nm — median 0.1692 (q25–q75 0.08965–0.2709)1533.7nm — median 0.1698 (q25–q75 0.09061–0.2757)1539.9nm — median 0.1714 (q25–q75 0.09141–0.2771)1546.1nm — median 0.1717 (q25–q75 0.0932–0.28)1552.3nm — median 0.1733 (q25–q75 0.09414–0.2793)1558.5nm — median 0.173 (q25–q75 0.09293–0.2849)1564.7nm — median 0.1733 (q25–q75 0.09274–0.2854)1570.9nm — median 0.1728 (q25–q75 0.09354–0.2877)1577.1nm — median 0.1725 (q25–q75 0.09429–0.2878)1583.3nm — median 0.1722 (q25–q75 0.09597–0.2854)1589.5nm — median 0.1719 (q25–q75 0.09747–0.2816)1595.7nm — median 0.1722 (q25–q75 0.09891–0.2804)1601.9nm — median 0.172 (q25–q75 0.1016–0.28)1608.1nm — median 0.1709 (q25–q75 0.1049–0.2817)1614.3nm — median 0.17 (q25–q75 0.109–0.2807)1620.5nm — median 0.1695 (q25–q75 0.1143–0.2831)1626.6nm — median 0.1718 (q25–q75 0.1201–0.2802)1632.8nm — median 0.1762 (q25–q75 0.1276–0.2795)1639nm — median 0.181 (q25–q75 0.1337–0.281)1645.2nm — median 0.1843 (q25–q75 0.141–0.2846)1651.4nm — median 0.1887 (q25–q75 0.1481–0.2877)1657.6nm — median 0.1978 (q25–q75 0.1554–0.3015)1663.8nm — median 0.2099 (q25–q75 0.163–0.3105)1670nm — median 0.2149 (q25–q75 0.1681–0.31)1676.2nm — median 0.2232 (q25–q75 0.1772–0.3198)

Sampling

How many observations and spectral channels were exported, and how the wavelength axis is spaced. Reading guide

Wavelengths
?Number of spectral channels. A channel can represent wavelength, wavenumber or another feature axis.
125
Axis range
?Lowest and highest recorded spectral-axis coordinates, in the stated unit.
908.1–1676 nm
Mean spacing
?Average difference between adjacent spectral-axis coordinates; compare only within the same unit.
6.19 nm
Grid
?Uniform means adjacent axis spacings are approximately equal. An irregular grid may need care when applying derivatives.
uniform
Observations
?Exported spectral rows in this source, including repeated measurements when present.
424

Signal & quality

Signal level and roughness summaries. These depend on the signal representation and are not instrument acceptance tests. Reading guide

Value range
?Minimum and maximum recorded spectral values, in the original signal representation.
-0.0226 – 0.799
Mean range
?Minimum and maximum of the mean spectrum across spectral channels.
0.0787 – 0.26
Mean level
?Average signal over observations and channels. The historical key mean_reflectance may also store other signal representations.
0.1385
Area
?Trapezoidal integral of the mean spectrum over the sorted recorded axis; its unit is signal multiplied by axis unit.
105.9
PTP
?Peak-to-peak: maximum minus minimum of the mean spectrum. Low values indicate little variation along the mean spectrum.
0.181
Noise RMS
?Historical roughness sigma proxy from robust second differences. Narrow genuine bands can also raise it; this is not repeat-measured instrument noise.
0.00035229
Roughness S/N proxy
?Average absolute signal divided by the roughness proxy. Higher means smoother signal relative to its amplitude, not certified instrument SNR.
3.9e+02
Roughness S/N proxy dB
?20 log10 of the roughness signal-to-noise proxy. Units are decibels; compare only compatible signal representations.
5e+01 dB
Dynamic range
?Maximum minus minimum of the mean spectrum. Its magnitude depends on the signal representation.
0.181
Smoothness
?Mean per-spectrum RMS of second differences, in signal units. Smaller values indicate smoother spectra under this protocol.
0.001725
Saturated
?Fraction at the observed global maximum; a heuristic indicator, not a comparison with known detector limits.
0.0%
X-outliers
?Number flagged by the qualification outlier method. An unusual spectrum can be valid and should not be discarded automatically.
246

Integrity & artefacts

Missing values, narrow spikes and abrupt jumps to investigate in the original spectra. Reading guide

NaN ratio
?Missing spectral cells divided by all spectral cells, displayed as a percentage.
0.00%
Inf count
?Number of positive or negative infinite spectral values; investigate invalid calculations or export.
0
Zero ratio
?Exactly zero spectral cells divided by all cells. Zero can be a valid measurement and is not automatically missing.
0.00%
Spike count
?Local narrow peaks flagged by the second-difference heuristic; real sharp spectral bands may also be flagged.
492
Spike rate
?Fraction of tested second-difference positions flagged as spikes, displayed as a percentage.
0.94%
Jump count
?Adjacent-channel changes flagged by the first-difference heuristic, potentially including detector joins.
157
Jump rate
?Fraction of tested adjacent-channel differences flagged as jumps, displayed as a percentage.
0.30%
Clip fraction
?Fraction of finite cells near the observed global minimum or maximum; inspect detector limits before concluding saturation.
0.00%

Shape & reference

Variation relative to this dataset's mean spectrum; the mean is not an independently measured calibration reference. Reading guide

Baseline slope
?Linear slope fitted to the mean spectrum over an axis normalized to 0–1. It describes total baseline change, not change per physical axis unit.
0.15183
Curvature RMS
?Median per-spectrum RMS of second differences, summarizing curvature and high-frequency variation.
0.0014009
D1 RMS
?Median per-spectrum RMS of adjacent-channel first differences; reflects both real spectral structure and artefacts.
0.0046662
RMS to mean
?Root mean square distance to this dataset's mean spectrum, in signal units.
0.071941
RMS p95
?95th percentile of distances to the mean spectrum: 95% of observations have a distance at or below this value.
0.22191
SAM to mean
?Spectral Angle Mapper: angle to the mean spectrum, in radians. Smaller angles indicate more similar shapes.
0.23842
SAM p95
?95th percentile of spectral angles to the dataset mean, in radians. It is less sensitive to overall amplitude than RMS.
0.47111
Affine offset p95
?95th percentile of absolute fitted offsets when matching each spectrum to the dataset mean.
0.22337
Affine gain p95 Δ
?95th percentile of the absolute gain deviation from 1 in the fit to the mean spectrum.
0.84584
Affine residual p95
?95th percentile of residual RMS after gain and offset correction to the mean spectrum.
0.037623
Xcorr lag p95
?95th percentile of the absolute cross-correlation shift relative to the mean spectrum, in spectral channels.
1

Outliers & repeatability

Unusual spectra and within-ID dispersion. Repeated IDs do not by themselves establish technical repetitions. Reading guide

PCA Q p95/median
?Q (squared prediction error) is variation left outside the retained PCA subspace. The displayed ratio compares its 95th percentile with its median.
8.5
Hotelling T2 p95/median
?Hotelling T² measures distance within the retained PCA subspace, scaled by component variance. Ratio of the 95th percentile to the median.
7.1
Mahalanobis H p95/median
?Distance from the PCA-score center after variance scaling. Ratio of the 95th percentile to the median; large values identify relatively extreme spectra.
2.7
Repeat groups
?Number of IDs with several observations. Source documentation is needed to decide whether these are technical repeats, positions or time points.
0

Dimensionality (PCA)

Principal component analysis (PCA) compresses correlated wavelengths into components. This describes spectral variation, without using prediction targets. Reading guide

Effective rank
?Entropy-based summary of the variance distribution across components. Larger values indicate variation spread across more dimensions.
1.4
PCs → 95% var
?Number of principal components needed to explain 95% of spectral variance, when reached by the computed projection.
2
PCs → 99% var
?Number of principal components needed to explain 99% of spectral variance, when reached by the computed projection.
3
Top-10 cum. var
?Fraction of spectral variance explained by up to the first ten computed principal components, displayed as a percentage.
99.9%
Computed metric scores 30highest alert 1.00

Value is the measured quantity; alert score is its heuristic mapping to 0–1. Levels are weak below 0.42, medium from 0.42, and strong from 0.72. These are display bands, not calibrated acceptance thresholds. A dash means unavailable, never zero. Possible causes are suggestions to investigate. Use each metric’s ? control for its meaning and scoring: hover for a hint, or expand it with a tap, Enter or Space.

FamilyComputed metricValueAlert scoreHeuristic levelDescriptive interpretationPossible causes to verifyCalculation / scoring
Data integrityInvalid/masked cell count (owner report)
?Count of cells reported unavailable by the native owner under its null or validity mask. This count is distinct from the historical NaN ratio; consult the recorded population and denominator. Scoring: No alert mapping is defined for this metric; an unavailable score does not mean a zero measured value. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
integrity.missing_cells		——not calculableNot enough information to score this metric on this dataset.Missing data or validity mask; not evidence of an acquisition causeNative Preflight count of cells unavailable under x/null and valid_mask; denominator stays in native_metric.denominators.n_cells. Not legacy NaN ratio.
Data integrityNaN ratio
?Missing spectral cells divided by all spectral cells, displayed as a percentage. Scoring: alert = min(1, nan_ratio / 0.05). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
integrity.nan_ratio		0%0.00weakFull spectrumAcquisition/export errorcount(isnan(X)) / X.sizealert = min(1, nan_ratio / 0.05)
Data integrityInf count
?Number of positive or negative infinite spectral values; investigate invalid calculations or export. Scoring: alert = min(1, inf_count / 1). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
integrity.inf_count		00.00weakNormalInvalid calculationscount(isinf(X))alert = min(1, inf_count / 1)
Data integrityZero ratio
?Exactly zero spectral cells divided by all cells. Zero can be a valid measurement and is not automatically missing. Scoring: alert = min(1, zero_ratio / 0.05). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
integrity.zero_ratio		0%0.00weakNormalExport, saturationcount(X == 0) / count(finite X)alert = min(1, zero_ratio / 0.05)
Overall amplitudeMean reflectance
?Average signal over observations and channels. The historical key mean_reflectance may also store other signal representations. Scoring: alert reuses baseline/shape drift because absolute reflectance ranges are technology-dependent. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
amplitude.mean_reflectance		0.13851.00strongAtypical value: Too light / background visible or Too darkBackground, geometrymean(X finite)alert reuses baseline/shape drift because absolute reflectance ranges are technology-dependent
Overall amplitudeArea under curve
?Trapezoidal integral of the mean spectrum over the sorted recorded axis; its unit is signal multiplied by axis unit. Scoring: alert reuses baseline/shape drift because area scale depends on axis and units. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
amplitude.area_under_curve		105.921.00strongAtypical value: Illumination difference or NormalProbe distancetrapezoid(mean_spectrum, spectral_axis)alert reuses baseline/shape drift because area scale depends on axis and units
Overall amplitudePeak-to-peak (PTP)
?Peak-to-peak: maximum minus minimum of the mean spectrum. Low values indicate little variation along the mean spectrum. Scoring: alert increases when dynamic range is abnormally flat. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
amplitude.peak_to_peak		0.180990.00weakStrong variabilitySaturationmax(mean_spectrum) - min(mean_spectrum)alert increases when dynamic range is abnormally flat
Overall amplitudeVariance
?Variance of all finite spectral cells, in squared signal units. It combines variation across observations and channels; a small value can describe a flat signal. Scoring: alert increases when variance/dynamic range is abnormally flat. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
amplitude.variance		0.0158540.00weakNormal or heterogeneousBad contactvar(X finite)alert increases when variance/dynamic range is abnormally flat
NoiseRoughness sigma proxy
?Historical roughness sigma proxy from robust second differences. Narrow genuine bands can also raise it; this is not repeat-measured instrument noise. Scoring: alert = noise_rms / signal_scale, saturated at 5%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
noise.roughness_sigma_proxy		0.000352290.04weakStableLamp, detectormedian MAD(second derivative) * 1.4826 / sqrt(6)alert = noise_rms / signal_scale, saturated at 5%
NoiseRoughness S/N proxy
?Average absolute signal divided by the roughness proxy. Higher means smoother signal relative to its amplitude, not certified instrument SNR. Scoring: alert decreases with SNR dB; >=40 dB is treated as low alert. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
noise.roughness_signal_to_noise_proxy		393.520.00weakGood signalAcquisitionmean(abs(X)) / noise_rmsalert decreases with SNR dB; >=40 dB is treated as low alert
NoiseBandwise roughness S/N proxy
?Minimum channel-wise ratio of absolute mean signal to local second-difference roughness. A smaller ratio identifies a weak or rough spectral region; genuine narrow bands and near-zero signal can also lower it. This is not certified instrument SNR. Scoring: alert decreases with worst-band SNR dB; >=35 dB is treated as low alert. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
noise.bandwise_roughness_signal_to_noise_proxy_min		64.7470.00weakReliable zoneDetectormin(abs(mean_spectrum) / local second-derivative noise)alert decreases with worst-band SNR dB; >=35 dB is treated as low alert
Local artifactsSpike count
?Local narrow peaks flagged by the second-difference heuristic; real sharp spectral bands may also be flagged. Scoring: alert follows spike_rate, saturated at 1%. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.spike_count		4920.94strongArtifactsCosmic rays, splicecount robust outliers in second derivativealert follows spike_rate, saturated at 1%
Local artifactsSpike rate
?Fraction of tested second-difference positions flagged as spikes, displayed as a percentage. Scoring: alert = min(1, spike_rate / 0.01). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.spike_rate		0.943%0.94strongSuspicious spectrumInterpolationspike_count / (n_samples * (n_features - 2))alert = min(1, spike_rate / 0.01)
Local artifactsJump count
?Adjacent-channel changes flagged by the first-difference heuristic, potentially including detector joins. Scoring: alert follows jump_rate, saturated at 1%. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.jump_count		1570.30weakContinuousSplicecount robust outliers in first derivativealert follows jump_rate, saturated at 1%
Local artifactsJump rate
?Fraction of tested adjacent-channel differences flagged as jumps, displayed as a percentage. Scoring: alert = min(1, jump_rate / 0.01). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.jump_rate		0.299%0.30weakNormalCalibrationjump_count / (n_samples * (n_features - 1))alert = min(1, jump_rate / 0.01)
Local artifactsClip fraction
?Fraction of finite cells near the observed global minimum or maximum; inspect detector limits before concluding saturation. Scoring: alert = min(1, clip_fraction / 0.01). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.clip_fraction		0.00377%0.00weakNormalDetector saturatedfraction of finite cells equal to repeated min/max extremaalert = min(1, clip_fraction / 0.01)
Spectral formBaseline slope
?Linear slope fitted to the mean spectrum over an axis normalized to 0–1. It describes total baseline change, not change per physical axis unit. Scoring: alert = abs(slope / signal_scale), saturated at 0.5. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
shape.baseline_slope		0.151831.00strongDriftIlluminationlinear slope of mean_spectrum over normalized axisalert = abs(slope / signal_scale), saturated at 0.5
Spectral formCurvature RMS
?Median per-spectrum RMS of second differences, summarizing curvature and high-frequency variation. Scoring: alert = curvature_rms / signal_scale, saturated at 1%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
shape.curvature_rms		0.00140090.77strongUnusual shapeBackground, splicemedian RMS(second derivative per spectrum)alert = curvature_rms / signal_scale, saturated at 1%
Spectral formD1 RMS
?Median per-spectrum RMS of adjacent-channel first differences; reflects both real spectral structure and artefacts. Scoring: alert = d1_rms / signal_scale, saturated at 5%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
shape.d1_rms		0.00466620.52mediumStructured spectrumBiology or artifactmedian RMS(first derivative per spectrum)alert = d1_rms / signal_scale, saturated at 5%
Multivariate outliersPCA Q (SPE)
?Q (squared prediction error) is variation left outside the retained PCA subspace. The displayed ratio compares its 95th percentile with its median. Scoring: alert = min(1, pca_q_ratio / 8). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
outliers.pca_q_ratio		8.52791.00strongAtypical spectrumArtifact, mixturep95(Q/SPE residual) / median(Q/SPE residual)alert = min(1, pca_q_ratio / 8)
Multivariate outliersHotelling T²
?Hotelling T² measures distance within the retained PCA subspace, scaled by component variance. Ratio of the 95th percentile to the median. Scoring: alert = min(1, hotelling_t2_ratio / 8). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
outliers.hotelling_t2_ratio		7.1020.89strongExtreme but consistentNatural variabilityp95(Hotelling T2) / median(Hotelling T2)alert = min(1, hotelling_t2_ratio / 8)
Multivariate outliersMahalanobis H
?Distance from the PCA-score center after variance scaling. Ratio of the 95th percentile to the median; large values identify relatively extreme spectra. Scoring: alert = min(1, mahalanobis_h_ratio / 4). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
outliers.mahalanobis_h_ratio		2.66480.67mediumGlobal outlierDifferent domainp95(sqrt(T2)) / median(sqrt(T2))alert = min(1, mahalanobis_h_ratio / 4)
Comparison to average spectrumRMS to mean spectrum
?95th percentile of distances to the mean spectrum: 95% of observations have a distance at or below this value. Scoring: alert = RMS_p95 / signal_scale, saturated at 25%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
reference.rms_to_mean_spectrum_p95		0.221911.00strongDifferent spectrumDomain shiftp95 RMS distance to dataset mean spectrumalert = RMS_p95 / signal_scale, saturated at 25%
Comparison to average spectrumSpectral Angle Mapper (SAM)
?95th percentile of spectral angles to the dataset mean, in radians. It is less sensitive to overall amplitude than RMS. Scoring: alert = min(1, SAM_p95 / 0.35 rad). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
reference.sam_to_mean_spectrum_p95		0.471111.00strongDifferent shapeBackground, geometryp95 spectral angle to dataset mean spectrumalert = min(1, SAM_p95 / 0.35 rad)
RepeatabilityRMS intra-ID
?Within-ID root mean square deviation from the group's mean spectrum, in signal units. Repeated IDs require documentation before this spread can be called technical repeatability. Scoring: alert = RMS_intra_ID / signal_scale, saturated at 10%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
repeatability.rms_intra_id		——not calculableNot enough information to score this metric on this dataset.Positioningmedian RMS distance to repeated-sample centroidalert = RMS_intra_ID / signal_scale, saturated at 10%
RepeatabilitySAM intra-ID
?Within-ID spectral angle to the group's mean spectrum, in radians. Repeated IDs require documentation before this spread can be called technical repeatability. Scoring: alert = min(1, SAM_intra_ID / 0.15 rad). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
repeatability.sam_intra_id		——not calculableNot enough information to score this metric on this dataset.Acquisitionmedian SAM to repeated-sample centroidalert = min(1, SAM_intra_ID / 0.15 rad)
RepeatabilityCV intra-ID
?Within-ID coefficient of variation: standard deviation relative to absolute mean; unstable near zero signal. Repeated IDs require documentation before this spread can be called technical repeatability. Scoring: alert = min(1, CV_intra_ID / 0.25). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
repeatability.cv_intra_id		——not calculableNot enough information to score this metric on this dataset.Operatormedian within-ID band CValert = min(1, CV_intra_ID / 0.25)
Structure of the datasetPCA score density
?Inverse median distance to nearby observations in retained PCA-score space. Larger raw values mean more closely spaced observations; scale depends on the PCA representation. The alert uses density variation, so raw density alone does not establish an anomaly. Scoring: alert follows density_cv/profile structure complexity, not raw density alone. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
structure.pca_score_density		14.2471.00strongSubpopulationsDifferent batches1 / median kNN distance in PCA score spacealert follows density_cv/profile structure complexity, not raw density alone
Structure of the datasetkNN distance ratio (not LOF)
?95th percentile of mean k-nearest-neighbor distance divided by the population median of that distance, in PCA-score space. Values above 1 indicate an upper tail with more isolated observations; valid rare spectra can also be isolated. This distance ratio is not the Local Outlier Factor algorithm. Scoring: alert = min(1, max(0, kNN_distance_ratio_p95 - 1) / 2). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
structure.knn_distance_ratio_p95		5.80991.00strongIsolated spectrumRare casesp95(mean kNN distance / median population mean kNN distance) in PCA-score space; not LOFalert = min(1, max(0, kNN_distance_ratio_p95 - 1) / 2)
Structure of the datasetIsolation Forest score
?95th percentile of the negated Isolation Forest score in retained PCA-score space. Larger raw scores indicate easier isolation under that model; the scale is implementation-dependent. The displayed alert reuses structure complexity rather than directly mapping this raw score. Scoring: alert follows structure complexity; raw score is implementation-dependent. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
structure.isolation_forest_score_p95		0.59191.00strongAtypical spectrumVarious causesp95 IsolationForest anomaly score on PCA scoresalert follows structure complexity; raw score is implementation-dependent

PCA score plot — explore spectral variation

Source Viavi MicroNIR averaged NIR: 424 of 424 source observations are plotted. PC1 captures 92.1% and PC2 5.7% of the reported spectral variance: 97.8% together; 2.2% remains outside this view.

Principal component analysis (PCA) summarizes spectral differences without using targets. The horizontal PC1 axis captures the largest variation; vertical PC2 captures the next largest direction of variation. Each dot is one observation; repeated measurements need not be distinct samples. Scores are projection coordinates, not wavelengths or target values. Nearby dots have similar projections; separate groups or isolated dots are leads to inspect in the original spectra and acquisition metadata. Overlapping dots can differ in omitted dimensions. The dots have no class or batch labels, so this view cannot identify groups, confirm defective observations, explain a chemical cause or measure prediction accuracy.

Viavi MicroNIR averaged NIR PCA score plot-2.50.02.55.07.5-2-1012PC1 -1.114 · PC2 -0.29PC1 -0.891 · PC2 -0.2471PC1 -1.123 · PC2 -0.219PC1 -0.7653 · PC2 0.1135PC1 -0.8455 · PC2 0.1255PC1 -0.9423 · PC2 0.1169PC1 -0.7476 · PC2 0.08895PC1 -0.7125 · PC2 0.06099PC1 -0.856 · PC2 0.0439PC1 -0.7457 · PC2 0.004344PC1 -0.9799 · PC2 -0.01187PC1 -1.211 · PC2 -0.2893PC1 -0.8429 · PC2 -0.08972PC1 -0.8806 · PC2 -0.1467PC1 -1.197 · PC2 -0.2076PC1 -0.1589 · PC2 0.2138PC1 -0.115 · PC2 0.1505PC1 -0.2061 · PC2 0.1066PC1 -0.4248 · PC2 0.08195PC1 -0.2519 · PC2 0.06204PC1 -0.4532 · PC2 0.01777PC1 -0.484 · PC2 -0.02301PC1 -1.082 · PC2 -0.3008PC1 -0.6134 · PC2 -0.09782PC1 -0.7207 · PC2 -0.1298PC1 -0.7685 · PC2 -0.1721PC1 -1.172 · PC2 -0.207PC1 0.8605 · PC2 -0.1088PC1 0.4122 · PC2 -0.1066PC1 -0.1513 · PC2 -0.1436PC1 -0.4345 · PC2 -0.1643PC1 -0.4948 · PC2 -0.1458PC1 -0.3434 · PC2 -0.1711PC1 -1.177 · PC2 -0.2863PC1 -0.7413 · PC2 -0.1631PC1 -0.9159 · PC2 -0.1705PC1 -0.8865 · PC2 -0.2076PC1 -1.086 · PC2 -0.1969PC1 -0.9594 · PC2 -0.2256PC1 -0.6618 · PC2 -0.04214PC1 -0.5496 · PC2 -0.07372PC1 -0.651 · PC2 -0.07827PC1 -0.5465 · PC2 -0.113PC1 -0.5608 · PC2 -0.1301PC1 -1.105 · PC2 -0.2841PC1 -0.6915 · PC2 -0.1303PC1 -0.6866 · PC2 -0.1524PC1 -0.9467 · PC2 -0.1422PC1 -0.7411 · PC2 -0.2029PC1 -1.01 · PC2 -0.1989PC1 -1.164 · PC2 -0.2167PC1 1.112 · PC2 1.057PC1 0.5541 · PC2 0.7564PC1 0.4663 · PC2 0.6082PC1 -0.07891 · PC2 0.4742PC1 -1.083 · PC2 -0.2778PC1 -0.1406 · PC2 0.3258PC1 -0.5203 · PC2 0.2273PC1 -0.6368 · PC2 0.1649PC1 -0.7935 · PC2 0.1029PC1 -0.6624 · PC2 0.0117PC1 -1.038 · PC2 -0.1103PC1 -0.9924 · PC2 -0.2355PC1 0.465 · PC2 0.6481PC1 0.4435 · PC2 0.7003PC1 0.09009 · PC2 0.4683PC1 -1.06 · PC2 -0.258PC1 0.02544 · PC2 0.2962PC1 -0.3939 · PC2 0.2964PC1 -0.3411 · PC2 0.1766PC1 -0.3817 · PC2 0.1727PC1 -0.5271 · PC2 0.01042PC1 -0.8043 · PC2 -0.04136PC1 -0.9318 · PC2 -0.1253PC1 -1.087 · PC2 -0.2236PC1 -0.1829 · PC2 -0.2878PC1 -0.2947 · PC2 -0.2726PC1 -0.8566 · PC2 -0.2658PC1 -0.5464 · PC2 -0.2555PC1 -0.7843 · PC2 -0.2328PC1 -0.8991 · PC2 -0.2196PC1 -0.911 · PC2 -0.2241PC1 -0.8214 · PC2 -0.236PC1 -0.9693 · PC2 -0.2248PC1 -0.9874 · PC2 -0.2122PC1 -1.007 · PC2 -0.2263PC1 0.05308 · PC2 -0.3348PC1 -0.8542 · PC2 -0.259PC1 -1.339 · PC2 -0.2311PC1 -1.414 · PC2 -0.2308PC1 -0.6879 · PC2 -0.2226PC1 -0.5997 · PC2 -0.2659PC1 -0.279 · PC2 -0.2256PC1 -1.258 · PC2 -0.2242PC1 -1.307 · PC2 -0.2163PC1 1.144 · PC2 -0.1603PC1 -0.1925 · PC2 -0.2601PC1 -0.1253 · PC2 -0.2035PC1 -0.5991 · PC2 -0.2166PC1 2.243 · PC2 0.4741PC1 -0.04039 · PC2 -0.2138PC1 -0.6022 · PC2 -0.279PC1 -0.01188 · PC2 -0.2582PC1 0.09028 · PC2 0.1628PC1 -0.5132 · PC2 -0.1409PC1 -1.008 · PC2 -0.2088PC1 -0.8081 · PC2 -0.1656PC1 -0.8524 · PC2 -0.2597PC1 -0.8832 · PC2 -0.2516PC1 0.04669 · PC2 -0.2522PC1 -0.7447 · PC2 -0.2297PC1 -0.8556 · PC2 -0.1884PC1 -1.155 · PC2 -0.08034PC1 -0.2844 · PC2 -0.01399PC1 -1.012 · PC2 -0.1781PC1 -1.027 · PC2 -0.1716PC1 -0.8451 · PC2 -0.2063PC1 0.2909 · PC2 0.1437PC1 1.359 · PC2 1.424PC1 -0.4453 · PC2 -0.3802PC1 -0.9119 · PC2 -0.2856PC1 -0.3332 · PC2 -0.1048PC1 -1.377 · PC2 -0.2061PC1 -1.068 · PC2 -0.2724PC1 -0.974 · PC2 -0.2545PC1 -1.316 · PC2 -0.2041PC1 -1.273 · PC2 -0.2045PC1 -1.336 · PC2 -0.2121PC1 -0.3668 · PC2 0.4435PC1 -1.562 · PC2 -0.2414PC1 -1.231 · PC2 -0.2125PC1 -0.49 · PC2 -0.2203PC1 -0.5915 · PC2 0.4797PC1 -0.8215 · PC2 -0.2331PC1 -0.3247 · PC2 0.2765PC1 -0.3341 · PC2 0.3169PC1 -0.5437 · PC2 0.5343PC1 -0.8269 · PC2 -0.2347PC1 -0.1766 · PC2 -0.1776PC1 -0.08316 · PC2 -0.1403PC1 -0.484 · PC2 0.5308PC1 0.6498 · PC2 -0.3774PC1 -0.2966 · PC2 -0.2591PC1 -0.7187 · PC2 -0.07442PC1 -0.1566 · PC2 0.09472PC1 -1.078 · PC2 -0.1793PC1 -1.017 · PC2 -0.164PC1 -0.1151 · PC2 0.2545PC1 0.4331 · PC2 0.7921PC1 0.3552 · PC2 0.2774PC1 0.5428 · PC2 0.3427PC1 0.5331 · PC2 0.2048PC1 -0.8247 · PC2 -0.2466PC1 -0.5003 · PC2 -0.2418PC1 1.06 · PC2 -0.2905PC1 1.086 · PC2 -0.3004PC1 0.7165 · PC2 -0.3449PC1 -0.6997 · PC2 0.3604PC1 -0.1151 · PC2 -0.248PC1 -0.04015 · PC2 -0.2438PC1 0.3531 · PC2 0.6429PC1 0.4831 · PC2 0.6805PC1 0.2962 · PC2 0.6261PC1 -0.548 · PC2 0.4412PC1 -0.8047 · PC2 0.1676PC1 -0.8773 · PC2 -0.06526PC1 -0.9204 · PC2 -0.01026PC1 -0.5694 · PC2 -0.2748PC1 -0.08782 · PC2 -0.02505PC1 -0.6838 · PC2 -0.02153PC1 -0.7869 · PC2 -0.1317PC1 -0.783 · PC2 -0.0167PC1 -1.047 · PC2 -0.2122PC1 -0.8481 · PC2 0.2119PC1 -0.4898 · PC2 0.4281PC1 -0.005595 · PC2 0.5289PC1 0.8335 · PC2 0.988PC1 -0.3639 · PC2 0.4632PC1 1.412 · PC2 -0.4445PC1 -0.1314 · PC2 0.1089PC1 -0.5139 · PC2 0.1709PC1 -0.2582 · PC2 0.1653PC1 -0.4307 · PC2 0.1868PC1 -0.1912 · PC2 0.2718PC1 -0.4035 · PC2 0.1351PC1 -0.6286 · PC2 0.1719PC1 -0.5903 · PC2 0.167PC1 -0.4325 · PC2 0.243PC1 -0.4864 · PC2 0.1324PC1 1.453 · PC2 -0.463PC1 -0.542 · PC2 0.2114PC1 -0.7484 · PC2 0.23PC1 -0.5751 · PC2 0.1562PC1 -0.5722 · PC2 0.253PC1 -0.06738 · PC2 0.02886PC1 0.1824 · PC2 0.4591PC1 1.645 · PC2 -0.5462PC1 -0.3807 · PC2 0.1677PC1 1.776 · PC2 -0.5607PC1 -0.4644 · PC2 0.2213PC1 -0.642 · PC2 0.2061PC1 -0.3522 · PC2 0.2787PC1 -0.4256 · PC2 0.1278PC1 -0.2876 · PC2 0.03153PC1 -0.4438 · PC2 0.2471PC1 2.033 · PC2 -0.4662PC1 6.313 · PC2 -0.8554PC1 -0.3368 · PC2 0.2458PC1 -0.381 · PC2 0.1931PC1 -0.23 · PC2 0.2373PC1 -0.5061 · PC2 0.2258PC1 -0.5221 · PC2 0.2161PC1 -0.3841 · PC2 0.2437PC1 -0.245 · PC2 0.1231PC1 -0.2584 · PC2 0.118PC1 -0.5301 · PC2 0.1305PC1 -0.1969 · PC2 0.3398PC1 -0.3326 · PC2 0.3204PC1 -0.7199 · PC2 0.1346PC1 -0.4384 · PC2 0.1337PC1 -0.5075 · PC2 0.0009905PC1 -0.5528 · PC2 0.2487PC1 -0.4955 · PC2 0.2518PC1 -0.4499 · PC2 0.08129PC1 -0.4682 · PC2 0.146PC1 -0.4685 · PC2 0.2328PC1 -0.6379 · PC2 0.2454PC1 -0.7074 · PC2 0.2383PC1 -0.2994 · PC2 0.2827PC1 -0.4995 · PC2 0.2526PC1 -0.6613 · PC2 0.2357PC1 -0.3454 · PC2 0.2823PC1 0.9281 · PC2 -0.3393PC1 -0.4531 · PC2 0.3381PC1 -0.4014 · PC2 0.2534PC1 -0.42 · PC2 0.3179PC1 -0.513 · PC2 0.2506PC1 -0.4775 · PC2 0.2545PC1 -0.4461 · PC2 0.1298PC1 -0.4204 · PC2 0.0946PC1 -0.3596 · PC2 -0.04278PC1 -0.7112 · PC2 0.1353PC1 -0.2538 · PC2 0.09431PC1 -0.6443 · PC2 0.2535PC1 -0.4378 · PC2 0.3102PC1 -0.714 · PC2 -0.0009249PC1 -0.4992 · PC2 0.2943PC1 -0.278 · PC2 0.1875PC1 -0.5236 · PC2 0.09187PC1 -0.9769 · PC2 0.1274PC1 -0.6529 · PC2 -0.2871PC1 -1.128 · PC2 -0.2298PC1 -0.2041 · PC2 -0.3422PC1 -1.027 · PC2 -0.2288PC1 -0.9218 · PC2 -0.2197PC1 -0.8159 · PC2 0.08432PC1 0.8544 · PC2 0.1262PC1 -1.291 · PC2 -0.2188PC1 -1.131 · PC2 -0.2283PC1 -0.1441 · PC2 0.4721PC1 -0.2326 · PC2 -0.1292PC1 -0.8542 · PC2 -0.1421PC1 -0.6847 · PC2 -0.2012PC1 0.6686 · PC2 -0.1095PC1 0.8579 · PC2 -0.08129PC1 -0.2733 · PC2 -0.1704PC1 -1.169 · PC2 -0.2322PC1 -0.3795 · PC2 -0.3064PC1 -0.2985 · PC2 -0.2731PC1 1.547 · PC2 1.165PC1 0.4356 · PC2 -0.254PC1 -0.7123 · PC2 -0.2731PC1 -0.866 · PC2 -0.2478PC1 -0.9315 · PC2 -0.1691PC1 -0.9457 · PC2 -0.106PC1 -0.2725 · PC2 0.1876PC1 -0.5222 · PC2 -0.3164PC1 -1.163 · PC2 -0.2015PC1 -0.8132 · PC2 -0.1835PC1 -0.5423 · PC2 0.2563PC1 0.1379 · PC2 -0.2043PC1 1.551 · PC2 0.1277PC1 -1.053 · PC2 -0.196PC1 -1.199 · PC2 -0.1883PC1 0.8094 · PC2 0.1936PC1 -1.202 · PC2 -0.233PC1 -0.7237 · PC2 -0.08539PC1 -0.6626 · PC2 -0.2162PC1 -1.06 · PC2 -0.2355PC1 0.5005 · PC2 0.6876PC1 -0.7371 · PC2 -0.2169PC1 -0.249 · PC2 -0.2399PC1 -0.1391 · PC2 -0.3806PC1 -0.9963 · PC2 -0.2155PC1 2.122 · PC2 -0.07442PC1 1.007 · PC2 0.001865PC1 -1.258 · PC2 -0.2228PC1 0.4979 · PC2 -0.3311PC1 -0.8339 · PC2 0.249PC1 1.036 · PC2 0.0128PC1 1.475 · PC2 0.374PC1 -1.119 · PC2 -0.1806PC1 -0.3525 · PC2 -0.05499PC1 -0.5282 · PC2 -0.3098PC1 -0.8465 · PC2 -0.2188PC1 -0.1735 · PC2 0.2609PC1 -1.187 · PC2 -0.215PC1 -0.7774 · PC2 -0.2174PC1 -0.2486 · PC2 -0.2994PC1 1.218 · PC2 1.083PC1 0.3804 · PC2 -0.3596PC1 -0.3829 · PC2 -0.331PC1 0.9656 · PC2 0.1451PC1 -0.9447 · PC2 -0.1711PC1 -0.5825 · PC2 0.3811PC1 -0.7236 · PC2 0.2601PC1 -0.5638 · PC2 0.0857PC1 -0.6165 · PC2 0.3214PC1 -0.8659 · PC2 -0.1549PC1 0.2227 · PC2 0.8959PC1 -0.8175 · PC2 -0.08402PC1 -1.254 · PC2 -0.2231PC1 0.4436 · PC2 -0.2104PC1 -0.5868 · PC2 -0.06033PC1 -0.2193 · PC2 0.5683PC1 -0.745 · PC2 -0.1743PC1 -0.8791 · PC2 -0.07521PC1 2.758 · PC2 -0.3527PC1 2.539 · PC2 1.245PC1 -0.9774 · PC2 -0.2125PC1 -0.151 · PC2 -0.2381PC1 -0.1109 · PC2 -0.1586PC1 -1.059 · PC2 0.02784PC1 -1.027 · PC2 -0.07101PC1 -0.3055 · PC2 -0.2653PC1 -0.754 · PC2 -0.2961PC1 -0.8379 · PC2 -0.2344PC1 -0.6397 · PC2 -0.221PC1 -1.025 · PC2 -0.2345PC1 -0.6106 · PC2 -0.2036PC1 -0.8058 · PC2 -0.1879PC1 -1.038 · PC2 -0.1875PC1 0.59 · PC2 0.06024PC1 -0.1256 · PC2 -0.07577PC1 -1.352 · PC2 -0.2153PC1 -0.6784 · PC2 -0.2866PC1 -0.1159 · PC2 -0.285PC1 2.438 · PC2 -0.3494PC1 0.4257 · PC2 -0.2297PC1 -0.7474 · PC2 -0.2573PC1 -1.133 · PC2 -0.2181PC1 -0.9643 · PC2 -0.207PC1 0.265 · PC2 0.2178PC1 3.039 · PC2 -0.5085PC1 3.83 · PC2 -0.1356PC1 1.172 · PC2 0.1294PC1 2.84 · PC2 -0.1928PC1 1.618 · PC2 0.0433PC1 0.5834 · PC2 0.5125PC1 2.663 · PC2 -0.1095PC1 1.815 · PC2 0.03446PC1 1.268 · PC2 0.06017PC1 2.24 · PC2 -0.07933PC1 0.433 · PC2 0.2896PC1 4.942 · PC2 -0.8269PC1 1.072 · PC2 0.2123PC1 1.973 · PC2 0.03562PC1 1.207 · PC2 0.3175PC1 2.276 · PC2 -0.01211PC1 1.684 · PC2 -0.02822PC1 2.328 · PC2 0.8252PC1 3.397 · PC2 -0.6934PC1 1.405 · PC2 0.3089PC1 3.433 · PC2 -0.6932PC1 0.3752 · PC2 0.4293PC1 0.6144 · PC2 0.2811PC1 2.458 · PC2 0.3313PC1 1.741 · PC2 -0.08204PC1 1.977 · PC2 -0.1212PC1 1.541 · PC2 0.1734PC1 5.525 · PC2 -0.7475PC1 7.105 · PC2 -1.013PC1 2.9 · PC2 -0.01921PC1 0.2596 · PC2 0.3518PC1 1.269 · PC2 0.2095PC1 1.964 · PC2 0.0517PC1 1.012 · PC2 0.2285PC1 0.6317 · PC2 0.3376PC1 1.144 · PC2 0.2456PC1 1.341 · PC2 0.1382PC1 0.7492 · PC2 0.2371PC1 1.6 · PC2 0.1954PC1 3.314 · PC2 0.03686PC1 1.376 · PC2 0.006355PC1 3.839 · PC2 -0.2407PC1 1.389 · PC2 -0.1425PC1 0.7972 · PC2 0.2629PC1 2.062 · PC2 0.08418PC1 0.4536 · PC2 0.1333PC1 0.7355 · PC2 0.2019PC1 2.655 · PC2 -0.0503PC1 2.47 · PC2 -0.01855PC1 0.1769 · PC2 0.1296PC1 0.894 · PC2 0.2881PC1 1.703 · PC2 0.1368PC1 4.216 · PC2 -0.1943PC1 1.856 · PC2 0.07526PC1 2.788 · PC2 -0.5567PC1 0.9921 · PC2 0.3166PC1 1.455 · PC2 0.1816PC1 3.528 · PC2 0.04762PC1 1.448 · PC2 0.1101PC1 2.02 · PC2 0.229PC1 2.031 · PC2 -0.0263PC1 0.7916 · PC2 0.122PC1 0.9356 · PC2 -0.1377PC1 0.2972 · PC2 0.1265PC1 1.656 · PC2 -0.1284PC1 0.2592 · PC2 0.1776PC1 0.7947 · PC2 0.2512PC1 3.632 · PC2 -0.4992PC1 0.9608 · PC2 0.09326PC1 2.414 · PC2 0.1298PC1 1.471 · PC2 -0.07864PC1 (92.1%)PC2 (5.7%)424 scores
View plotted PCA coordinates

Point numbers identify rows in this displayed coordinate list, not original observation or sample IDs. Non-integer coordinates use up to five significant digits. Original IDs, component loadings, preprocessing details and the observation selection method are not supplied with this plot.

Plotted observation positions (not original sample IDs)
PointPC1 scorePC2 score
1-1.1144-0.29004
2-0.89095-0.24706
3-1.1228-0.21896
4-0.765330.11353
5-0.845460.12547
6-0.942290.11689
7-0.747640.088949
8-0.712460.060995
9-0.855980.043896
10-0.745690.0043443
11-0.97988-0.01187
12-1.2114-0.2893
13-0.8429-0.089721
14-0.88058-0.14671
15-1.197-0.20758
16-0.158870.2138
17-0.115010.15048
18-0.206050.10658
19-0.42480.081955
20-0.251880.062035
21-0.453210.01777
22-0.48398-0.023011
23-1.0816-0.30077
24-0.61339-0.097816
25-0.7207-0.12975
26-0.76851-0.17211
27-1.1723-0.20699
280.86047-0.10883
290.41219-0.10658
30-0.15129-0.14364
31-0.43454-0.16433
32-0.49482-0.14582
33-0.3434-0.17105
34-1.1765-0.28627
35-0.74134-0.16315
36-0.91588-0.1705
37-0.88655-0.20763
38-1.0858-0.19691
39-0.95938-0.22561
40-0.66177-0.042137
41-0.54963-0.073724
42-0.65102-0.078267
43-0.54647-0.11299
44-0.56084-0.13005
45-1.1049-0.28413
46-0.69151-0.13027
47-0.68656-0.15239
48-0.94673-0.14216
49-0.74105-0.20293
50-1.0101-0.19887
51-1.1636-0.21672
521.11161.0569
530.554140.75635
540.466290.60816
55-0.0789080.47423
56-1.0829-0.27777
57-0.140580.32584
58-0.520330.22726
59-0.636810.1649
60-0.793540.10295
61-0.662360.011695
62-1.0377-0.11032
63-0.99244-0.23554
640.465030.64805
650.443450.70026
660.0900910.46832
67-1.0598-0.25802
680.0254440.29618
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70-0.341080.1766
71-0.381680.17274
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82-0.91098-0.22406
83-0.82136-0.23599
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85-0.98738-0.21221
86-1.007-0.22626
870.053082-0.33484
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89-1.3391-0.23108
90-1.4137-0.23079
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92-0.59974-0.26589
93-0.27902-0.22555
94-1.2581-0.22421
95-1.307-0.21634
961.1438-0.16028
97-0.19254-0.26012
98-0.12527-0.2035
99-0.59911-0.2166
1002.24280.47409
101-0.040389-0.21384
102-0.60222-0.27898
103-0.011882-0.25822
1040.0902830.16279
105-0.51315-0.14092
106-1.0077-0.20884
107-0.80807-0.16564
108-0.85242-0.25966
109-0.88316-0.25159
1100.046695-0.2522
111-0.74468-0.22971
112-0.85562-0.18838
113-1.1555-0.080343
114-0.28442-0.013991
115-1.0125-0.17807
116-1.0275-0.17158
117-0.84511-0.20635
1180.290880.14374
1191.35941.4243
120-0.44535-0.38023
121-0.91188-0.28561
122-0.33319-0.1048
123-1.3773-0.20611
124-1.0677-0.27245
125-0.97401-0.25453
126-1.3164-0.20412
127-1.2728-0.20448
128-1.3359-0.21208
129-0.366810.44348
130-1.5621-0.24135
131-1.2315-0.21254
132-0.49004-0.22027
133-0.591460.47971
134-0.82152-0.23314
135-0.324690.27649
136-0.334080.31691
137-0.543690.53428
138-0.82693-0.23469
139-0.17665-0.17759
140-0.083161-0.14031
141-0.483970.53075
1420.6498-0.37738
143-0.29656-0.25913
144-0.71865-0.07442
145-0.156580.094722
146-1.0782-0.17926
147-1.0169-0.16405
148-0.115080.25446
1490.43310.79208
1500.355190.27736
1510.542810.34266
1520.533080.20484
153-0.82473-0.24658
154-0.50029-0.24182
1551.06-0.29052
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1570.71648-0.34489
158-0.699660.36037
159-0.11506-0.24797
160-0.040145-0.24379
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1630.296160.62613
164-0.5480.44124
165-0.804750.16762
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167-0.92044-0.01026
168-0.56938-0.27482
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171-0.7869-0.13167
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176-0.00559510.52889
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180-0.131430.1089
181-0.513860.1709
182-0.258220.16529
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184-0.191160.2718
185-0.403550.13508
186-0.628640.1719
187-0.590270.16698
188-0.432490.24301
189-0.486350.13235
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191-0.542040.21143
192-0.748410.22998
193-0.575060.15621
194-0.572160.25297
195-0.067380.028862
1960.182390.45912
1971.645-0.54623
198-0.38070.16768
1991.7759-0.56069
200-0.464450.22131
201-0.6420.20607
202-0.352220.27867
203-0.425570.12783
204-0.287570.03153
205-0.443770.24706
2062.0331-0.46615
2076.3134-0.85542
208-0.33680.24577
209-0.380960.19314
210-0.230010.23734
211-0.506110.22577
212-0.522120.21613
213-0.384090.24367
214-0.245030.1231
215-0.258370.11799
216-0.530060.13052
217-0.196890.33976
218-0.33260.32037
219-0.719880.13463
220-0.438370.13365
221-0.507520.00099046
222-0.552750.24873
223-0.495470.25183
224-0.449930.081292
225-0.468240.146
226-0.468530.23277
227-0.637930.24537
228-0.707360.23834
229-0.299440.28266
230-0.499530.25258
231-0.66130.23573
232-0.34540.28235
2330.9281-0.33929
234-0.453080.33809
235-0.401370.25341
236-0.420010.31794
237-0.513020.25058
238-0.477460.25447
239-0.446150.12982
240-0.42040.094602
241-0.35963-0.042779
242-0.711230.13528
243-0.253850.094306
244-0.644310.25351
245-0.437810.31022
246-0.714-0.00092494
247-0.499220.29426
248-0.277970.18748
249-0.523610.091872
250-0.976870.12744
251-0.65289-0.28709
252-1.1283-0.22982
253-0.20414-0.3422
254-1.0268-0.2288
255-0.92181-0.21966
256-0.81590.084319
2570.854450.12617
258-1.2914-0.21883
259-1.1311-0.22832
260-0.144110.47206
261-0.23263-0.12921
262-0.85415-0.1421
263-0.6847-0.20119
2640.6686-0.10951
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266-0.27329-0.17038
267-1.169-0.23218
268-0.37947-0.30641
269-0.29849-0.27308
2701.54711.165
2710.43561-0.25395
272-0.71232-0.27313
273-0.86604-0.24781
274-0.93147-0.16912
275-0.94565-0.10603
276-0.272480.18755
277-0.52223-0.31636
278-1.163-0.20146
279-0.81324-0.18347
280-0.542330.25629
2810.13795-0.20428
2821.5510.12767
283-1.0527-0.19599
284-1.1994-0.18828
2850.809420.19357
286-1.2025-0.23304
287-0.72367-0.085395
288-0.66265-0.21624
289-1.0603-0.23553
2900.500540.6876
291-0.73709-0.21685
292-0.24899-0.2399
293-0.13911-0.38061
294-0.99634-0.21552
2952.1216-0.074417
2961.00690.0018651
297-1.2575-0.2228
2980.49793-0.33108
299-0.833940.24898
3001.03570.0128
3011.47520.37399
302-1.1185-0.18061
303-0.35248-0.054987
304-0.52822-0.30981
305-0.84647-0.21878
306-0.173450.26093
307-1.1865-0.21498
308-0.77735-0.21744
309-0.24856-0.29937
3101.21751.0827
3110.38038-0.35963
312-0.38294-0.33104
3130.965580.14513
314-0.94467-0.17106
315-0.582510.38106
316-0.723620.26014
317-0.563760.085696
318-0.616520.32138
319-0.86587-0.15493
3200.22270.89586
321-0.81747-0.084016
322-1.2536-0.22315
3230.44359-0.21035
324-0.5868-0.060332
325-0.21930.56833
326-0.74505-0.17425
327-0.87906-0.075214
3282.7583-0.35271
3292.5391.2448
330-0.97735-0.21246
331-0.15103-0.23811
332-0.11095-0.15863
333-1.05870.027839
334-1.0274-0.071009
335-0.3055-0.26532
336-0.75401-0.29605
337-0.83789-0.2344
338-0.63971-0.22104
339-1.0255-0.23455
340-0.61057-0.20362
341-0.80579-0.18788
342-1.0379-0.18747
3430.589980.060243
344-0.12556-0.075771
345-1.3516-0.21532
346-0.67844-0.28658
347-0.11588-0.28495
3482.4379-0.34942
3490.42569-0.22966
350-0.74739-0.25733
351-1.1331-0.21805
352-0.96431-0.20701
3530.264980.21781
3543.0389-0.50852
3553.8296-0.13562
3561.17190.12945
3572.8395-0.19276
3581.61850.043297
3590.583420.51253
3602.6633-0.10952
3611.81480.034465
3621.26850.060174
3632.2399-0.079334
3640.433020.2896
3654.9423-0.82691
3661.07250.21233
3671.97260.035621
3681.20740.31748
3692.2764-0.012108
3701.6838-0.028218
3712.32780.82515
3723.3966-0.69341
3731.4050.3089
3743.4326-0.69316
3750.37520.42935
3760.614450.28106
3772.45760.33133
3781.7414-0.082044
3791.9768-0.12117
3801.54090.17344
3815.5251-0.74751
3827.1047-1.0133
3832.8998-0.019211
3840.259640.35181
3851.26910.20952
3861.96430.051698
3871.01210.22854
3880.631670.33761
3891.14390.24562
3901.34130.1382
3910.749220.23711
3921.59970.19538
3933.31380.036862
3941.37650.0063554
3953.8392-0.24072
3961.3893-0.14247
3970.797240.26288
3982.06220.084182
3990.453620.13332
4000.735490.20191
4012.6545-0.050303
4022.47-0.018548
4030.176930.12964
4040.894030.28807
4051.70320.13675
4064.2165-0.19427
4071.85570.075258
4082.7883-0.55674
4090.992150.31661
4101.45520.18159
4113.52840.04762
4121.44790.11007
4132.020.22898
4142.0314-0.026298
4150.791630.12198
4160.93561-0.13774
4170.297190.12653
4181.6558-0.12844
4190.259230.17762
4200.794730.25122
4213.6324-0.49923
4220.96080.09326
4232.41390.12976
4241.4705-0.078636

PCA explained variance — how many dimensions?

Each bar reports the share of spectral variance explained by a component. Concentration in the first components indicates correlated wavelengths. This is not variance explained in the prediction target. This projection may use a different observation sample from the score plot.

PCA explained variance0%25%50%75%100%PC1: 92.1% (cumulative 92.1%)1PC2: 5.7% (cumulative 97.8%)2PC3: 1.3% (cumulative 99.1%)3PC4: 0.5% (cumulative 99.6%)4PC5: 0.1% (cumulative 99.7%)5PC6: 0.1% (cumulative 99.8%)6PC7: 0.1% (cumulative 99.8%)7PC8: 0.0% (cumulative 99.9%)8PC9: 0.0% (cumulative 99.9%)9PC10: 0.0% (cumulative 99.9%)10cumulative explained variancePC variancecumulativeprincipal component · cumulative (dashed)
View explained variance values
Variance per displayed principal component
ComponentSpectral variance
PC192.13%
PC25.69%
PC31.27%
PC40.52%
PC50.11%
PC60.07%
PC70.05%
PC80.04%
PC90.03%
PC100.02%

NeoSpectra averaged NIR

X_neospectra · NIR · NeoSpectra

Read the signal and variation summaries for this source. Axis unit: nm; signal representation: absorbance.

Spectral signal summary

The mean and median describe the typical signal at each channel; shaded bands show the 25th–75th and 5th–95th percentiles across observations. A wider band means greater variation, which can be biological or instrumental.

NeoSpectra averaged NIR spectra0.000.250.500.751.001.251,0001,5002,0002,5003,000q05-q95 envelopeq25-q75 envelopemedian spectrummedianq25–q75q05–q95wavelength / nm1299.4nm — median 0.231 (q25–q75 0.2004–0.2823)1303.5nm — median 0.2287 (q25–q75 0.1987–0.2699)1307.6nm — median 0.2322 (q25–q75 0.2011–0.2852)1311.8nm — median 0.2318 (q25–q75 0.2005–0.285)1320.2nm — median 0.2346 (q25–q75 0.2029–0.2904)1324.4nm — median 0.2359 (q25–q75 0.2038–0.2912)1328.7nm — median 0.2358 (q25–q75 0.2051–0.2915)1333nm — median 0.2385 (q25–q75 0.2077–0.2938)1337.3nm — median 0.24 (q25–q75 0.2087–0.2833)1341.6nm — median 0.2481 (q25–q75 0.2149–0.3021)1346nm — median 0.2509 (q25–q75 0.2188–0.3072)1354.9nm — median 0.2589 (q25–q75 0.2262–0.3161)1359.3nm — median 0.264 (q25–q75 0.2304–0.3232)1363.8nm — median 0.2666 (q25–q75 0.2325–0.3292)1368.4nm — median 0.269 (q25–q75 0.2359–0.3357)1372.9nm — median 0.2713 (q25–q75 0.2377–0.3363)1377.5nm — median 0.2716 (q25–q75 0.2391–0.34)1382.1nm — median 0.2733 (q25–q75 0.2399–0.3395)1391.4nm — median 0.2781 (q25–q75 0.2438–0.3401)1396.2nm — median 0.2802 (q25–q75 0.2466–0.3402)1400.9nm — median 0.2822 (q25–q75 0.2495–0.3393)1405.7nm — median 0.2828 (q25–q75 0.2512–0.3383)1410.5nm — median 0.2852 (q25–q75 0.2532–0.3392)1415.3nm — median 0.2894 (q25–q75 0.2572–0.3437)1420.2nm — median 0.2947 (q25–q75 0.2622–0.3506)1430.1nm — median 0.3042 (q25–q75 0.2652–0.3608)1435nm — median 0.3034 (q25–q75 0.2711–0.3589)1440nm — median 0.3093 (q25–q75 0.2686–0.3703)1445.1nm — median 0.3109 (q25–q75 0.2683–0.3759)1450.2nm — median 0.313 (q25–q75 0.2686–0.3818)1455.3nm — median 0.3155 (q25–q75 0.273–0.3784)1460.4nm — median 0.3194 (q25–q75 0.2739–0.3828)1470.9nm — median 0.3286 (q25–q75 0.2708–0.3948)1476.1nm — median 0.3338 (q25–q75 0.2708–0.3956)1481.4nm — median 0.3376 (q25–q75 0.2708–0.4019)1486.8nm — median 0.3391 (q25–q75 0.269–0.4083)1492.1nm — median 0.3387 (q25–q75 0.2678–0.4086)1497.6nm — median 0.3399 (q25–q75 0.2786–0.4034)1503nm — median 0.3367 (q25–q75 0.2685–0.4057)1514.1nm — median 0.3319 (q25–q75 0.2697–0.4038)1519.6nm — median 0.3305 (q25–q75 0.271–0.403)1525.3nm — median 0.332 (q25–q75 0.2761–0.3959)1530.9nm — median 0.3312 (q25–q75 0.2708–0.4018)1536.6nm — median 0.3331 (q25–q75 0.2715–0.4028)1542.4nm — median 0.3361 (q25–q75 0.2717–0.405)1548.2nm — median 0.3373 (q25–q75 0.2717–0.4082)1559.9nm — median 0.3388 (q25–q75 0.2728–0.4082)1565.8nm — median 0.3389 (q25–q75 0.2726–0.4081)1571.8nm — median 0.3394 (q25–q75 0.2731–0.4049)1577.8nm — median 0.3372 (q25–q75 0.274–0.4051)1583.9nm — median 0.3396 (q25–q75 0.2782–0.3984)1590nm — median 0.3373 (q25–q75 0.2764–0.4009)1596.1nm — median 0.3343 (q25–q75 0.2749–0.3992)1608.6nm — median 0.33 (q25–q75 0.2751–0.397)1614.9nm — median 0.3291 (q25–q75 0.2769–0.3941)1621.2nm — median 0.327 (q25–q75 0.2847–0.3878)1627.6nm — median 0.3367 (q25–q75 0.2902–0.4069)1634.1nm — median 0.3407 (q25–q75 0.2957–0.4179)1640.6nm — median 0.3373 (q25–q75 0.3015–0.4153)1647.1nm — median 0.3531 (q25–q75 0.3129–0.4305)1660.4nm — median 0.3867 (q25–q75 0.3357–0.4634)1667.1nm — median 0.3901 (q25–q75 0.3461–0.4651)1673.9nm — median 0.406 (q25–q75 0.3544–0.4984)1680.7nm — median 0.4133 (q25–q75 0.3533–0.506)1687.6nm — median 0.4122 (q25–q75 0.3522–0.5065)1694.5nm — median 0.4056 (q25–q75 0.3505–0.4922)1701.5nm — median 0.3951 (q25–q75 0.3469–0.487)1715.6nm — median 0.3952 (q25–q75 0.3454–0.4889)1722.8nm — median 0.4023 (q25–q75 0.3501–0.4954)1730nm — median 0.4017 (q25–q75 0.3503–0.4919)1737.3nm — median 0.3951 (q25–q75 0.3447–0.4815)1744.7nm — median 0.3882 (q25–q75 0.3387–0.4726)1752.1nm — median 0.3821 (q25–q75 0.3352–0.4646)1767.1nm — median 0.3812 (q25–q75 0.3345–0.4598)1774.7nm — median 0.3773 (q25–q75 0.3336–0.4571)1782.4nm — median 0.3747 (q25–q75 0.3306–0.455)1790.1nm — median 0.3668 (q25–q75 0.3285–0.4305)1797.9nm — median 0.3709 (q25–q75 0.3278–0.4505)1805.8nm — median 0.3694 (q25–q75 0.3276–0.4529)1813.8nm — median 0.369 (q25–q75 0.3266–0.4508)1829.8nm — median 0.3639 (q25–q75 0.324–0.4464)1838nm — median 0.3607 (q25–q75 0.3218–0.4433)1846.2nm — median 0.3561 (q25–q75 0.3176–0.4388)1854.5nm — median 0.3542 (q25–q75 0.3141–0.4359)1862.9nm — median 0.3531 (q25–q75 0.3132–0.4323)1871.4nm — median 0.3541 (q25–q75 0.3142–0.4305)1879.9nm — median 0.3565 (q25–q75 0.3179–0.4337)1897.2nm — median 0.3769 (q25–q75 0.3376–0.4522)1906nm — median 0.3989 (q25–q75 0.352–0.4694)1914.8nm — median 0.4179 (q25–q75 0.3623–0.4839)1923.8nm — median 0.4281 (q25–q75 0.3644–0.5015)1932.8nm — median 0.4323 (q25–q75 0.3728–0.4957)1941.9nm — median 0.4318 (q25–q75 0.3673–0.5092)1951.1nm — median 0.4321 (q25–q75 0.3674–0.5064)1969.7nm — median 0.4264 (q25–q75 0.3726–0.4935)1979.2nm — median 0.4313 (q25–q75 0.3631–0.5108)1988.7nm — median 0.437 (q25–q75 0.3643–0.5211)1998.3nm — median 0.4391 (q25–q75 0.3642–0.5477)2008.1nm — median 0.4415 (q25–q75 0.3665–0.553)2017.9nm — median 0.4446 (q25–q75 0.3676–0.5385)2027.8nm — median 0.4453 (q25–q75 0.3693–0.5264)2048nm — median 0.4459 (q25–q75 0.3839–0.5095)2058.2nm — median 0.4585 (q25–q75 0.3938–0.5197)2068.5nm — median 0.4723 (q25–q75 0.3883–0.5452)2078.9nm — median 0.4861 (q25–q75 0.3984–0.5548)2089.5nm — median 0.4929 (q25–q75 0.4084–0.5665)2100.1nm — median 0.4982 (q25–q75 0.411–0.57)2110.9nm — median 0.5075 (q25–q75 0.4336–0.5702)2132.7nm — median 0.5247 (q25–q75 0.461–0.6099)2143.8nm — median 0.5275 (q25–q75 0.4748–0.6303)2155nm — median 0.5287 (q25–q75 0.4758–0.6305)2166.3nm — median 0.527 (q25–q75 0.4712–0.6225)2177.8nm — median 0.5221 (q25–q75 0.4685–0.6038)2189.3nm — median 0.5197 (q25–q75 0.4686–0.6022)2201nm — median 0.525 (q25–q75 0.4719–0.6242)2224.7nm — median 0.5654 (q25–q75 0.5026–0.6627)2236.8nm — median 0.6059 (q25–q75 0.5393–0.7042)2249nm — median 0.6424 (q25–q75 0.5749–0.7615)2261.4nm — median 0.6508 (q25–q75 0.5852–0.7768)2273.8nm — median 0.641 (q25–q75 0.5851–0.7775)2286.4nm — median 0.6371 (q25–q75 0.5757–0.7734)2299.2nm — median 0.6364 (q25–q75 0.5668–0.7751)2325.1nm — median 0.6411 (q25–q75 0.5706–0.7712)2338.3nm — median 0.6339 (q25–q75 0.5688–0.7567)2351.6nm — median 0.6317 (q25–q75 0.5653–0.7488)2365.1nm — median 0.6347 (q25–q75 0.5687–0.7593)2378.8nm — median 0.6394 (q25–q75 0.5745–0.7673)2392.6nm — median 0.6438 (q25–q75 0.5781–0.7628)2406.5nm — median 0.6408 (q25–q75 0.5763–0.7635)2434.9nm — median 0.6561 (q25–q75 0.5849–0.7719)2449.4nm — median 0.6789 (q25–q75 0.6091–0.7858)2464nm — median 0.6997 (q25–q75 0.6287–0.7958)2478.9nm — median 0.7042 (q25–q75 0.6258–0.7929)2493.8nm — median 0.6954 (q25–q75 0.609–0.7874)2509nm — median 0.6759 (q25–q75 0.5898–0.779)2524.4nm — median 0.6621 (q25–q75 0.5733–0.7636)2555.7nm — median 0.6275 (q25–q75 0.5427–0.716)2571.6nm — median 0.6064 (q25–q75 0.5164–0.6952)2587.8nm — median 0.5832 (q25–q75 0.4978–0.6737)2604.1nm — median 0.5633 (q25–q75 0.4914–0.6429)

Sampling

How many observations and spectral channels were exported, and how the wavelength axis is spaced. Reading guide

Wavelengths
?Number of spectral channels. A channel can represent wavelength, wavenumber or another feature axis.
160
Axis range
?Lowest and highest recorded spectral-axis coordinates, in the stated unit.
1299–2604 nm
Mean spacing
?Average difference between adjacent spectral-axis coordinates; compare only within the same unit.
8.21 nm
Grid
?Uniform means adjacent axis spacings are approximately equal. An irregular grid may need care when applying derivatives.
irregular
Observations
?Exported spectral rows in this source, including repeated measurements when present.
429

Signal & quality

Signal level and roughness summaries. These depend on the signal representation and are not instrument acceptance tests. Reading guide

Value range
?Minimum and maximum recorded spectral values, in the original signal representation.
0.0597 – 1.88
Mean range
?Minimum and maximum of the mean spectrum across spectral channels.
0.249 – 0.728
Mean level
?Average signal over observations and channels. The historical key mean_reflectance may also store other signal representations.
0.4424
Area
?Trapezoidal integral of the mean spectrum over the sorted recorded axis; its unit is signal multiplied by axis unit.
642.9
PTP
?Peak-to-peak: maximum minus minimum of the mean spectrum. Low values indicate little variation along the mean spectrum.
0.4785
Noise RMS
?Historical roughness sigma proxy from robust second differences. Narrow genuine bands can also raise it; this is not repeat-measured instrument noise.
0.0013554
Roughness S/N proxy
?Average absolute signal divided by the roughness proxy. Higher means smoother signal relative to its amplitude, not certified instrument SNR.
3.3e+02
Roughness S/N proxy dB
?20 log10 of the roughness signal-to-noise proxy. Units are decibels; compare only compatible signal representations.
5e+01 dB
Dynamic range
?Maximum minus minimum of the mean spectrum. Its magnitude depends on the signal representation.
0.479
Saturated
?Fraction at the observed global maximum; a heuristic indicator, not a comparison with known detector limits.
0.0%
X-outliers
?Number flagged by the qualification outlier method. An unusual spectrum can be valid and should not be discarded automatically.
248

Integrity & artefacts

Missing values, narrow spikes and abrupt jumps to investigate in the original spectra. Reading guide

NaN ratio
?Missing spectral cells divided by all spectral cells, displayed as a percentage.
3.42%
Inf count
?Number of positive or negative infinite spectral values; investigate invalid calculations or export.
0
Zero ratio
?Exactly zero spectral cells divided by all cells. Zero can be a valid measurement and is not automatically missing.
0.00%
Spike count
?Local narrow peaks flagged by the second-difference heuristic; real sharp spectral bands may also be flagged.
1,070
Spike rate
?Fraction of tested second-difference positions flagged as spikes, displayed as a percentage.
1.58%
Jump count
?Adjacent-channel changes flagged by the first-difference heuristic, potentially including detector joins.
881
Jump rate
?Fraction of tested adjacent-channel differences flagged as jumps, displayed as a percentage.
1.29%
Clip fraction
?Fraction of finite cells near the observed global minimum or maximum; inspect detector limits before concluding saturation.
0.00%

Shape & reference

Variation relative to this dataset's mean spectrum; the mean is not an independently measured calibration reference. Reading guide

Baseline slope
?Linear slope fitted to the mean spectrum over an axis normalized to 0–1. It describes total baseline change, not change per physical axis unit.
0.443
Curvature RMS
?Median per-spectrum RMS of second differences, summarizing curvature and high-frequency variation.
0.0078808
D1 RMS
?Median per-spectrum RMS of adjacent-channel first differences; reflects both real spectral structure and artefacts.
0.01241
RMS to mean
?Root mean square distance to this dataset's mean spectrum, in signal units.
0.083146
RMS p95
?95th percentile of distances to the mean spectrum: 95% of observations have a distance at or below this value.
0.2352
SAM to mean
?Spectral Angle Mapper: angle to the mean spectrum, in radians. Smaller angles indicate more similar shapes.
0.105
SAM p95
?95th percentile of spectral angles to the dataset mean, in radians. It is less sensitive to overall amplitude than RMS.
0.20123
Affine offset p95
?95th percentile of absolute fitted offsets when matching each spectrum to the dataset mean.
0.25536
Affine gain p95 Δ
?95th percentile of the absolute gain deviation from 1 in the fit to the mean spectrum.
0.52582
Affine residual p95
?95th percentile of residual RMS after gain and offset correction to the mean spectrum.
0.07819
Xcorr lag p95
?95th percentile of the absolute cross-correlation shift relative to the mean spectrum, in spectral channels.
0

Outliers & repeatability

Unusual spectra and within-ID dispersion. Repeated IDs do not by themselves establish technical repetitions. Reading guide

PCA Q p95/median
?Q (squared prediction error) is variation left outside the retained PCA subspace. The displayed ratio compares its 95th percentile with its median.
5.3
Hotelling T2 p95/median
?Hotelling T² measures distance within the retained PCA subspace, scaled by component variance. Ratio of the 95th percentile to the median.
4.4
Mahalanobis H p95/median
?Distance from the PCA-score center after variance scaling. Ratio of the 95th percentile to the median; large values identify relatively extreme spectra.
2.1
Repeat groups
?Number of IDs with several observations. Source documentation is needed to decide whether these are technical repeats, positions or time points.
0

Dimensionality (PCA)

Principal component analysis (PCA) compresses correlated wavelengths into components. This describes spectral variation, without using prediction targets. Reading guide

Effective rank
?Entropy-based summary of the variance distribution across components. Larger values indicate variation spread across more dimensions.
2.1
PCs → 95% var
?Number of principal components needed to explain 95% of spectral variance, when reached by the computed projection.
4
PCs → 99% var
?Number of principal components needed to explain 99% of spectral variance, when reached by the computed projection.
9
Top-10 cum. var
?Fraction of spectral variance explained by up to the first ten computed principal components, displayed as a percentage.
99.2%
Computed metric scores 30highest alert 1.00

Value is the measured quantity; alert score is its heuristic mapping to 0–1. Levels are weak below 0.42, medium from 0.42, and strong from 0.72. These are display bands, not calibrated acceptance thresholds. A dash means unavailable, never zero. Possible causes are suggestions to investigate. Use each metric’s ? control for its meaning and scoring: hover for a hint, or expand it with a tap, Enter or Space.

FamilyComputed metricValueAlert scoreHeuristic levelDescriptive interpretationPossible causes to verifyCalculation / scoring
Data integrityInvalid/masked cell count (owner report)
?Count of cells reported unavailable by the native owner under its null or validity mask. This count is distinct from the historical NaN ratio; consult the recorded population and denominator. Scoring: No alert mapping is defined for this metric; an unavailable score does not mean a zero measured value. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
integrity.missing_cells		——not calculableNot enough information to score this metric on this dataset.Missing data or validity mask; not evidence of an acquisition causeNative Preflight count of cells unavailable under x/null and valid_mask; denominator stays in native_metric.denominators.n_cells. Not legacy NaN ratio.
Data integrityNaN ratio
?Missing spectral cells divided by all spectral cells, displayed as a percentage. Scoring: alert = min(1, nan_ratio / 0.05). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
integrity.nan_ratio		3.42%0.68mediumCorrupted spectrumAcquisition/export errorcount(isnan(X)) / X.sizealert = min(1, nan_ratio / 0.05)
Data integrityInf count
?Number of positive or negative infinite spectral values; investigate invalid calculations or export. Scoring: alert = min(1, inf_count / 1). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
integrity.inf_count		00.00weakNormalInvalid calculationscount(isinf(X))alert = min(1, inf_count / 1)
Data integrityZero ratio
?Exactly zero spectral cells divided by all cells. Zero can be a valid measurement and is not automatically missing. Scoring: alert = min(1, zero_ratio / 0.05). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
integrity.zero_ratio		0%0.00weakNormalExport, saturationcount(X == 0) / count(finite X)alert = min(1, zero_ratio / 0.05)
Overall amplitudeMean reflectance
?Average signal over observations and channels. The historical key mean_reflectance may also store other signal representations. Scoring: alert reuses baseline/shape drift because absolute reflectance ranges are technology-dependent. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
amplitude.mean_reflectance		0.442381.00strongAtypical value: Too light / background visible or Too darkBackground, geometrymean(X finite)alert reuses baseline/shape drift because absolute reflectance ranges are technology-dependent
Overall amplitudeArea under curve
?Trapezoidal integral of the mean spectrum over the sorted recorded axis; its unit is signal multiplied by axis unit. Scoring: alert reuses baseline/shape drift because area scale depends on axis and units. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
amplitude.area_under_curve		642.931.00strongAtypical value: Illumination difference or NormalProbe distancetrapezoid(mean_spectrum, spectral_axis)alert reuses baseline/shape drift because area scale depends on axis and units
Overall amplitudePeak-to-peak (PTP)
?Peak-to-peak: maximum minus minimum of the mean spectrum. Low values indicate little variation along the mean spectrum. Scoring: alert increases when dynamic range is abnormally flat. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
amplitude.peak_to_peak		0.47850.00weakStrong variabilitySaturationmax(mean_spectrum) - min(mean_spectrum)alert increases when dynamic range is abnormally flat
Overall amplitudeVariance
?Variance of all finite spectral cells, in squared signal units. It combines variation across observations and channels; a small value can describe a flat signal. Scoring: alert increases when variance/dynamic range is abnormally flat. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
amplitude.variance		0.0404320.00weakNormal or heterogeneousBad contactvar(X finite)alert increases when variance/dynamic range is abnormally flat
NoiseRoughness sigma proxy
?Historical roughness sigma proxy from robust second differences. Narrow genuine bands can also raise it; this is not repeat-measured instrument noise. Scoring: alert = noise_rms / signal_scale, saturated at 5%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
noise.roughness_sigma_proxy		0.00135540.06weakStableLamp, detectormedian MAD(second derivative) * 1.4826 / sqrt(6)alert = noise_rms / signal_scale, saturated at 5%
NoiseRoughness S/N proxy
?Average absolute signal divided by the roughness proxy. Higher means smoother signal relative to its amplitude, not certified instrument SNR. Scoring: alert decreases with SNR dB; >=40 dB is treated as low alert. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
noise.roughness_signal_to_noise_proxy		326.380.00weakGood signalAcquisitionmean(abs(X)) / noise_rmsalert decreases with SNR dB; >=40 dB is treated as low alert
NoiseBandwise roughness S/N proxy
?Minimum channel-wise ratio of absolute mean signal to local second-difference roughness. A smaller ratio identifies a weak or rough spectral region; genuine narrow bands and near-zero signal can also lower it. This is not certified instrument SNR. Scoring: alert decreases with worst-band SNR dB; >=35 dB is treated as low alert. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
noise.bandwise_roughness_signal_to_noise_proxy_min		65.6550.00weakReliable zoneDetectormin(abs(mean_spectrum) / local second-derivative noise)alert decreases with worst-band SNR dB; >=35 dB is treated as low alert
Local artifactsSpike count
?Local narrow peaks flagged by the second-difference heuristic; real sharp spectral bands may also be flagged. Scoring: alert follows spike_rate, saturated at 1%. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.spike_count		1,0701.00strongArtifactsCosmic rays, splicecount robust outliers in second derivativealert follows spike_rate, saturated at 1%
Local artifactsSpike rate
?Fraction of tested second-difference positions flagged as spikes, displayed as a percentage. Scoring: alert = min(1, spike_rate / 0.01). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.spike_rate		1.58%1.00strongSuspicious spectrumInterpolationspike_count / (n_samples * (n_features - 2))alert = min(1, spike_rate / 0.01)
Local artifactsJump count
?Adjacent-channel changes flagged by the first-difference heuristic, potentially including detector joins. Scoring: alert follows jump_rate, saturated at 1%. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.jump_count		8811.00strongDetector connectionSplicecount robust outliers in first derivativealert follows jump_rate, saturated at 1%
Local artifactsJump rate
?Fraction of tested adjacent-channel differences flagged as jumps, displayed as a percentage. Scoring: alert = min(1, jump_rate / 0.01). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.jump_rate		1.29%1.00strongSpectral problemCalibrationjump_count / (n_samples * (n_features - 1))alert = min(1, jump_rate / 0.01)
Local artifactsClip fraction
?Fraction of finite cells near the observed global minimum or maximum; inspect detector limits before concluding saturation. Scoring: alert = min(1, clip_fraction / 0.01). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.clip_fraction		0.00302%0.00weakNormalDetector saturatedfraction of finite cells equal to repeated min/max extremaalert = min(1, clip_fraction / 0.01)
Spectral formBaseline slope
?Linear slope fitted to the mean spectrum over an axis normalized to 0–1. It describes total baseline change, not change per physical axis unit. Scoring: alert = abs(slope / signal_scale), saturated at 0.5. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
shape.baseline_slope		0.4431.00strongDriftIlluminationlinear slope of mean_spectrum over normalized axisalert = abs(slope / signal_scale), saturated at 0.5
Spectral formCurvature RMS
?Median per-spectrum RMS of second differences, summarizing curvature and high-frequency variation. Scoring: alert = curvature_rms / signal_scale, saturated at 1%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
shape.curvature_rms		0.00788081.00strongUnusual shapeBackground, splicemedian RMS(second derivative per spectrum)alert = curvature_rms / signal_scale, saturated at 1%
Spectral formD1 RMS
?Median per-spectrum RMS of adjacent-channel first differences; reflects both real spectral structure and artefacts. Scoring: alert = d1_rms / signal_scale, saturated at 5%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
shape.d1_rms		0.012410.52mediumStructured spectrumBiology or artifactmedian RMS(first derivative per spectrum)alert = d1_rms / signal_scale, saturated at 5%
Multivariate outliersPCA Q (SPE)
?Q (squared prediction error) is variation left outside the retained PCA subspace. The displayed ratio compares its 95th percentile with its median. Scoring: alert = min(1, pca_q_ratio / 8). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
outliers.pca_q_ratio		5.25720.66mediumAtypical spectrumArtifact, mixturep95(Q/SPE residual) / median(Q/SPE residual)alert = min(1, pca_q_ratio / 8)
Multivariate outliersHotelling T²
?Hotelling T² measures distance within the retained PCA subspace, scaled by component variance. Ratio of the 95th percentile to the median. Scoring: alert = min(1, hotelling_t2_ratio / 8). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
outliers.hotelling_t2_ratio		4.42310.55mediumExtreme but consistentNatural variabilityp95(Hotelling T2) / median(Hotelling T2)alert = min(1, hotelling_t2_ratio / 8)
Multivariate outliersMahalanobis H
?Distance from the PCA-score center after variance scaling. Ratio of the 95th percentile to the median; large values identify relatively extreme spectra. Scoring: alert = min(1, mahalanobis_h_ratio / 4). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
outliers.mahalanobis_h_ratio		2.10260.53mediumGlobal outlierDifferent domainp95(sqrt(T2)) / median(sqrt(T2))alert = min(1, mahalanobis_h_ratio / 4)
Comparison to average spectrumRMS to mean spectrum
?95th percentile of distances to the mean spectrum: 95% of observations have a distance at or below this value. Scoring: alert = RMS_p95 / signal_scale, saturated at 25%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
reference.rms_to_mean_spectrum_p95		0.23521.00strongDifferent spectrumDomain shiftp95 RMS distance to dataset mean spectrumalert = RMS_p95 / signal_scale, saturated at 25%
Comparison to average spectrumSpectral Angle Mapper (SAM)
?95th percentile of spectral angles to the dataset mean, in radians. It is less sensitive to overall amplitude than RMS. Scoring: alert = min(1, SAM_p95 / 0.35 rad). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
reference.sam_to_mean_spectrum_p95		0.201230.57mediumDifferent shapeBackground, geometryp95 spectral angle to dataset mean spectrumalert = min(1, SAM_p95 / 0.35 rad)
RepeatabilityRMS intra-ID
?Within-ID root mean square deviation from the group's mean spectrum, in signal units. Repeated IDs require documentation before this spread can be called technical repeatability. Scoring: alert = RMS_intra_ID / signal_scale, saturated at 10%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
repeatability.rms_intra_id		——not calculableNot enough information to score this metric on this dataset.Positioningmedian RMS distance to repeated-sample centroidalert = RMS_intra_ID / signal_scale, saturated at 10%
RepeatabilitySAM intra-ID
?Within-ID spectral angle to the group's mean spectrum, in radians. Repeated IDs require documentation before this spread can be called technical repeatability. Scoring: alert = min(1, SAM_intra_ID / 0.15 rad). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
repeatability.sam_intra_id		——not calculableNot enough information to score this metric on this dataset.Acquisitionmedian SAM to repeated-sample centroidalert = min(1, SAM_intra_ID / 0.15 rad)
RepeatabilityCV intra-ID
?Within-ID coefficient of variation: standard deviation relative to absolute mean; unstable near zero signal. Repeated IDs require documentation before this spread can be called technical repeatability. Scoring: alert = min(1, CV_intra_ID / 0.25). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
repeatability.cv_intra_id		——not calculableNot enough information to score this metric on this dataset.Operatormedian within-ID band CValert = min(1, CV_intra_ID / 0.25)
Structure of the datasetPCA score density
?Inverse median distance to nearby observations in retained PCA-score space. Larger raw values mean more closely spaced observations; scale depends on the PCA representation. The alert uses density variation, so raw density alone does not establish an anomaly. Scoring: alert follows density_cv/profile structure complexity, not raw density alone. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
structure.pca_score_density		4.19961.00strongSubpopulationsDifferent batches1 / median kNN distance in PCA score spacealert follows density_cv/profile structure complexity, not raw density alone
Structure of the datasetkNN distance ratio (not LOF)
?95th percentile of mean k-nearest-neighbor distance divided by the population median of that distance, in PCA-score space. Values above 1 indicate an upper tail with more isolated observations; valid rare spectra can also be isolated. This distance ratio is not the Local Outlier Factor algorithm. Scoring: alert = min(1, max(0, kNN_distance_ratio_p95 - 1) / 2). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
structure.knn_distance_ratio_p95		3.47131.00strongIsolated spectrumRare casesp95(mean kNN distance / median population mean kNN distance) in PCA-score space; not LOFalert = min(1, max(0, kNN_distance_ratio_p95 - 1) / 2)
Structure of the datasetIsolation Forest score
?95th percentile of the negated Isolation Forest score in retained PCA-score space. Larger raw scores indicate easier isolation under that model; the scale is implementation-dependent. The displayed alert reuses structure complexity rather than directly mapping this raw score. Scoring: alert follows structure complexity; raw score is implementation-dependent. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
structure.isolation_forest_score_p95		0.553951.00strongAtypical spectrumVarious causesp95 IsolationForest anomaly score on PCA scoresalert follows structure complexity; raw score is implementation-dependent

PCA score plot — explore spectral variation

Source NeoSpectra averaged NIR: 429 of 429 source observations are plotted. PC1 captures 83.6% and PC2 5.6% of the reported spectral variance: 89.2% together; 10.8% remains outside this view.

Principal component analysis (PCA) summarizes spectral differences without using targets. The horizontal PC1 axis captures the largest variation; vertical PC2 captures the next largest direction of variation. Each dot is one observation; repeated measurements need not be distinct samples. Scores are projection coordinates, not wavelengths or target values. Nearby dots have similar projections; separate groups or isolated dots are leads to inspect in the original spectra and acquisition metadata. Overlapping dots can differ in omitted dimensions. The dots have no class or batch labels, so this view cannot identify groups, confirm defective observations, explain a chemical cause or measure prediction accuracy.

NeoSpectra averaged NIR PCA score plot-505101520-4-202PC1 -2.025 · PC2 -0.8668PC1 -1.142 · PC2 -0.443PC1 -0.7765 · PC2 -0.3224PC1 -0.9681 · PC2 -0.4578PC1 0.2217 · PC2 -0.318PC1 -0.2216 · PC2 -0.2252PC1 -0.4712 · PC2 -0.1789PC1 1.425 · PC2 -0.3104PC1 -0.441 · PC2 -0.2676PC1 -0.8812 · PC2 -0.2658PC1 -0.5228 · PC2 -0.2245PC1 -1.801 · PC2 -0.7994PC1 -0.9424 · PC2 -0.266PC1 -1.159 · PC2 -0.303PC1 -1.572 · PC2 -0.4214PC1 1.663 · PC2 0.5111PC1 1.209 · PC2 0.3851PC1 0.8415 · PC2 0.2956PC1 0.8369 · PC2 0.2793PC1 0.4526 · PC2 0.194PC1 -0.2015 · PC2 0.1095PC1 0.1338 · PC2 0.1399PC1 -1.789 · PC2 -0.8107PC1 -0.795 · PC2 -0.1574PC1 -0.9682 · PC2 -0.2052PC1 -0.9001 · PC2 -0.3647PC1 -1.611 · PC2 -0.4195PC1 2.871 · PC2 0.4312PC1 1.858 · PC2 0.31PC1 1.397 · PC2 0.2785PC1 0.3009 · PC2 -0.01043PC1 0.4509 · PC2 0.00739PC1 0.1887 · PC2 -0.04895PC1 -1.87 · PC2 -0.66PC1 -0.2823 · PC2 -0.2055PC1 -0.3955 · PC2 -0.2771PC1 -1.29 · PC2 -0.41PC1 -1.138 · PC2 -0.381PC1 -0.7701 · PC2 -0.4222PC1 0.4956 · PC2 0.2446PC1 0.2614 · PC2 0.2582PC1 -0.1636 · PC2 0.1864PC1 0.19 · PC2 0.1528PC1 0.4183 · PC2 0.1372PC1 -1.997 · PC2 -0.7476PC1 -0.3144 · PC2 0.05101PC1 -0.3833 · PC2 -0.03645PC1 -0.6359 · PC2 -0.1221PC1 -0.4853 · PC2 -0.2041PC1 -1.05 · PC2 -0.3245PC1 -1.005 · PC2 -0.419PC1 3.987 · PC2 0.5615PC1 2.443 · PC2 0.2213PC1 1.83 · PC2 0.03854PC1 0.6222 · PC2 -0.1968PC1 -1.308 · PC2 -0.6174PC1 -0.3212 · PC2 -0.1842PC1 -0.4803 · PC2 -0.3578PC1 0.09203 · PC2 -0.2706PC1 -0.5477 · PC2 -0.2921PC1 -1.393 · PC2 -0.4333PC1 -1.264 · PC2 -0.4539PC1 -1.199 · PC2 -0.4365PC1 2.393 · PC2 0.2508PC1 1.236 · PC2 0.1039PC1 0.4828 · PC2 -0.1741PC1 -1.153 · PC2 -0.5559PC1 -0.1076 · PC2 -0.2423PC1 -0.5539 · PC2 -0.2091PC1 -0.6458 · PC2 -0.2774PC1 -0.135 · PC2 -0.3263PC1 -0.7035 · PC2 -0.4714PC1 -1.162 · PC2 -0.4083PC1 -1.295 · PC2 -0.4562PC1 -1.552 · PC2 -0.444PC1 1.139 · PC2 0.4945PC1 1.233 · PC2 0.3326PC1 -1.367 · PC2 -0.5613PC1 0.5221 · PC2 0.1961PC1 0.01914 · PC2 0.008321PC1 -0.336 · PC2 -0.07921PC1 -0.1746 · PC2 -0.05735PC1 -0.7288 · PC2 -0.2305PC1 -0.5446 · PC2 -0.2319PC1 -1.111 · PC2 -0.2427PC1 -1.402 · PC2 -0.4006PC1 -1.391 · PC2 -0.3368PC1 -1.36 · PC2 -0.4842PC1 -1.693 · PC2 -0.2953PC1 0.2258 · PC2 -0.3025PC1 15.51 · PC2 -2.904PC1 13.87 · PC2 -2.452PC1 1.31 · PC2 0.4713PC1 2.69 · PC2 0.1679PC1 1.474 · PC2 0.03608PC1 1.946 · PC2 0.04472PC1 -2.19 · PC2 -0.3323PC1 -0.3818 · PC2 -0.2614PC1 -1.529 · PC2 -0.2879PC1 -1.71 · PC2 -0.191PC1 0.972 · PC2 0.0343PC1 -1.667 · PC2 -0.1604PC1 -2.276 · PC2 -0.1319PC1 -1.156 · PC2 -0.1657PC1 -1.906 · PC2 -0.1227PC1 -1.895 · PC2 -0.5302PC1 -0.9146 · PC2 -0.1761PC1 -1.583 · PC2 -0.5675PC1 -0.419 · PC2 -0.3933PC1 -0.9042 · PC2 -0.1875PC1 -1.419 · PC2 -0.08565PC1 1.234 · PC2 0.08772PC1 -0.3982 · PC2 0.03213PC1 0.1242 · PC2 0.2469PC1 -0.4343 · PC2 0.0003086PC1 -1.986 · PC2 -0.2954PC1 -1.075 · PC2 -0.6661PC1 0.8651 · PC2 -0.1516PC1 0.5265 · PC2 -0.08134PC1 0.7892 · PC2 0.01994PC1 0.6916 · PC2 -0.2263PC1 0.6412 · PC2 0.0992PC1 3.33 · PC2 -0.1955PC1 0.7547 · PC2 0.103PC1 0.3124 · PC2 -0.0457PC1 -1.868 · PC2 -0.3518PC1 -1.113 · PC2 -0.06432PC1 0.4212 · PC2 0.04019PC1 -0.6519 · PC2 0.08029PC1 -1.896 · PC2 -0.3572PC1 0.4967 · PC2 0.4213PC1 -0.4479 · PC2 -0.08305PC1 -0.2 · PC2 -0.2225PC1 -0.1636 · PC2 -0.3458PC1 2.04 · PC2 0.06654PC1 -1.484 · PC2 -0.2006PC1 5.251 · PC2 -0.07719PC1 0.1559 · PC2 0.2265PC1 1.014 · PC2 0.09406PC1 -1.077 · PC2 -0.07421PC1 -0.8164 · PC2 -0.01161PC1 2.216 · PC2 0.2493PC1 1.63 · PC2 0.2775PC1 -0.7985 · PC2 -0.3474PC1 3.157 · PC2 0.3713PC1 -0.06796 · PC2 -0.1182PC1 -0.2073 · PC2 -0.2772PC1 3.387 · PC2 -3.16e-05PC1 -1.703 · PC2 -0.3944PC1 -0.7493 · PC2 0.06938PC1 1.542 · PC2 0.2284PC1 -0.1353 · PC2 0.1228PC1 1.785 · PC2 0.1913PC1 1.153 · PC2 0.4979PC1 -1.706 · PC2 -0.3315PC1 -1.571 · PC2 -0.154PC1 1.577 · PC2 -0.196PC1 1.789 · PC2 -0.1193PC1 -1.719 · PC2 -0.3265PC1 -0.8389 · PC2 -0.002828PC1 -0.5514 · PC2 -0.1473PC1 0.06666 · PC2 -0.05432PC1 0.005734 · PC2 0.03391PC1 -1.305 · PC2 -0.1887PC1 -1.038 · PC2 -0.3556PC1 0.844 · PC2 0.154PC1 -1.024 · PC2 -0.072PC1 0.8439 · PC2 0.0234PC1 -1.52 · PC2 -0.1104PC1 -0.7844 · PC2 -0.04359PC1 -1.012 · PC2 -0.0647PC1 -1.064 · PC2 -0.1997PC1 -0.6863 · PC2 -0.3179PC1 -0.2238 · PC2 -0.1361PC1 -0.6146 · PC2 0.179PC1 -0.4219 · PC2 -0.2258PC1 0.6668 · PC2 0.2652PC1 1.485 · PC2 -0.1047PC1 0.3255 · PC2 0.1705PC1 2.108 · PC2 0.2353PC1 1.539 · PC2 -0.1912PC1 -0.2936 · PC2 -0.1754PC1 0.6357 · PC2 -0.7203PC1 -0.3607 · PC2 -0.09016PC1 -0.7931 · PC2 -0.08126PC1 -0.4482 · PC2 -0.04168PC1 -0.2791 · PC2 0.1321PC1 -0.4489 · PC2 -0.04788PC1 -0.6916 · PC2 -0.1244PC1 -0.2979 · PC2 -0.08947PC1 -0.7679 · PC2 -0.2671PC1 -1.018 · PC2 -0.03561PC1 -0.1 · PC2 -0.1613PC1 0.4998 · PC2 -0.5517PC1 -0.2295 · PC2 -0.1152PC1 -0.849 · PC2 -0.1629PC1 -1.517 · PC2 -0.2948PC1 -0.3947 · PC2 -0.09043PC1 -0.4828 · PC2 -0.1079PC1 0.06003 · PC2 -0.05167PC1 0.8436 · PC2 -0.9137PC1 -0.4255 · PC2 -0.09779PC1 0.7412 · PC2 -0.849PC1 -0.5716 · PC2 -0.05664PC1 -0.4214 · PC2 -0.1106PC1 -0.2613 · PC2 0.0005815PC1 -0.7361 · PC2 -0.008451PC1 -0.7163 · PC2 -0.1771PC1 -1.018 · PC2 -0.2361PC1 1.224 · PC2 -0.8466PC1 5.869 · PC2 -1.11PC1 -0.6968 · PC2 -0.003428PC1 -0.3736 · PC2 -0.1507PC1 0.02047 · PC2 0.1131PC1 -0.691 · PC2 -0.07024PC1 -0.4931 · PC2 -0.1224PC1 -0.4382 · PC2 -0.001465PC1 -0.5595 · PC2 0.002577PC1 0.05289 · PC2 -0.02479PC1 -0.1995 · PC2 -0.1902PC1 -0.5119 · PC2 0.1555PC1 -0.3604 · PC2 0.1042PC1 -0.8841 · PC2 -0.2201PC1 -0.3181 · PC2 -0.007644PC1 -1.238 · PC2 -0.08939PC1 -0.1711 · PC2 -0.01697PC1 0.07531 · PC2 0.2187PC1 -0.6362 · PC2 -0.04896PC1 -0.1119 · PC2 -0.05291PC1 -0.2941 · PC2 0.07712PC1 -0.3514 · PC2 -0.03922PC1 -1.041 · PC2 -0.2196PC1 -0.313 · PC2 0.1214PC1 -0.9133 · PC2 -0.0596PC1 -0.8513 · PC2 -0.1063PC1 0.4698 · PC2 0.2622PC1 0.273 · PC2 -0.4686PC1 -0.1633 · PC2 0.1899PC1 -0.7838 · PC2 -0.01767PC1 -0.7762 · PC2 0.01986PC1 -0.4572 · PC2 -0.09527PC1 -0.8133 · PC2 0.01571PC1 -0.948 · PC2 -0.1018PC1 -0.8491 · PC2 -0.02052PC1 -1.137 · PC2 -0.1877PC1 -1.398 · PC2 -0.3753PC1 -0.4896 · PC2 0.0123PC1 -1.204 · PC2 -0.09045PC1 -0.1368 · PC2 0.1365PC1 -1.17 · PC2 -0.1395PC1 -0.6212 · PC2 -0.02491PC1 -0.196 · PC2 0.4616PC1 -0.9808 · PC2 -0.2706PC1 -1.151 · PC2 -0.3876PC1 -0.8746 · PC2 -0.2265PC1 -1.674 · PC2 -0.4025PC1 -0.241 · PC2 -0.5504PC1 -1.623 · PC2 -0.3757PC1 -1.33 · PC2 -0.2682PC1 -0.6876 · PC2 -0.03611PC1 3.965 · PC2 -0.002861PC1 -1.244 · PC2 -0.2103PC1 -0.6431 · PC2 -0.3675PC1 0.28 · PC2 0.2555PC1 1.337 · PC2 0.7644PC1 -1.343 · PC2 -0.2504PC1 -0.4633 · PC2 -0.1338PC1 3.538 · PC2 0.7011PC1 2.548 · PC2 0.3063PC1 0.7557 · PC2 -0.1581PC1 -2.023 · PC2 -0.4131PC1 -1.141 · PC2 -0.231PC1 -0.05977 · PC2 -0.1288PC1 5.157 · PC2 1.098PC1 1.045 · PC2 -0.0519PC1 -1.092 · PC2 -0.4229PC1 -1.264 · PC2 -0.4301PC1 -1.2 · PC2 -0.5315PC1 -0.6045 · PC2 -0.06776PC1 -0.1728 · PC2 -0.007952PC1 -0.4749 · PC2 -0.3716PC1 -0.654 · PC2 -0.1263PC1 -0.9773 · PC2 -0.282PC1 -0.1421 · PC2 0.005597PC1 2.438 · PC2 0.4826PC1 4.205 · PC2 0.8371PC1 -0.3643 · PC2 0.1327PC1 -1.353 · PC2 -0.271PC1 2.08 · PC2 -0.2549PC1 -1.523 · PC2 -0.4985PC1 -0.4674 · PC2 0.2221PC1 -0.5273 · PC2 -0.2602PC1 -1.415 · PC2 -0.4051PC1 1.268 · PC2 0.4454PC1 -0.9655 · PC2 -0.3109PC1 -0.2988 · PC2 -0.2601PC1 -0.2259 · PC2 -0.6214PC1 -0.6113 · PC2 -0.1871PC1 3.209 · PC2 -0.704PC1 1.317 · PC2 -0.2004PC1 -1.701 · PC2 -0.4776PC1 1.092 · PC2 -0.2339PC1 1.458 · PC2 1.394PC1 2.142 · PC2 -0.4445PC1 2.627 · PC2 0.1944PC1 -1.414 · PC2 -0.1734PC1 0.08527 · PC2 0.3684PC1 -0.9914 · PC2 -0.2079PC1 -0.6291 · PC2 0.3045PC1 0.7157 · PC2 0.3717PC1 -1.178 · PC2 -0.159PC1 -1.082 · PC2 -0.2119PC1 0.5612 · PC2 0.0296PC1 3.093 · PC2 1.134PC1 0.4281 · PC2 -0.407PC1 1.259 · PC2 -0.378PC1 1.647 · PC2 0.316PC1 -0.9828 · PC2 -0.1907PC1 -0.6672 · PC2 -0.3235PC1 -1.11 · PC2 -0.3138PC1 -0.1121 · PC2 0.206PC1 -0.378 · PC2 0.0425PC1 -0.8037 · PC2 -0.1143PC1 1.368 · PC2 0.3983PC1 -0.8269 · PC2 0.1587PC1 -1.988 · PC2 -0.466PC1 1.651 · PC2 0.3243PC1 -0.2344 · PC2 0.3014PC1 0.6666 · PC2 0.1027PC1 -1.039 · PC2 -0.04786PC1 -0.5259 · PC2 0.02701PC1 6.68 · PC2 0.3268PC1 6.599 · PC2 0.9875PC1 -1.116 · PC2 -0.1858PC1 0.3079 · PC2 -0.2105PC1 1.884 · PC2 0.992PC1 -1.734 · PC2 -0.3593PC1 -0.9104 · PC2 0.05666PC1 0.4711 · PC2 -0.06427PC1 -1.672 · PC2 -0.3773PC1 -0.4048 · PC2 -0.1025PC1 -0.1405 · PC2 0.1392PC1 -1.847 · PC2 -0.3659PC1 -0.4672 · PC2 0.02755PC1 -0.5265 · PC2 -0.02908PC1 -0.851 · PC2 -0.167PC1 1.82 · PC2 0.007493PC1 1.574 · PC2 0.8652PC1 -1.731 · PC2 -0.4956PC1 -0.5343 · PC2 -0.2242PC1 1.284 · PC2 -0.1588PC1 7.096 · PC2 -0.0756PC1 2.07 · PC2 0.433PC1 -0.7368 · PC2 -0.3454PC1 -1.036 · PC2 -0.3004PC1 -1.115 · PC2 -0.1783PC1 1.315 · PC2 -0.01745PC1 2.839 · PC2 0.5743PC1 1.161 · PC2 0.06197PC1 -0.0294 · PC2 0.7414PC1 -0.3434 · PC2 0.4803PC1 -1.487 · PC2 0.5047PC1 0.3937 · PC2 1.19PC1 -1.573 · PC2 0.3389PC1 -1.673 · PC2 0.5799PC1 -0.8298 · PC2 0.7727PC1 -0.6735 · PC2 0.6387PC1 -0.1227 · PC2 1.007PC1 -0.7037 · PC2 0.7788PC1 -0.01094 · PC2 0.06305PC1 -0.6851 · PC2 0.5441PC1 -1.518 · PC2 0.3335PC1 0.1832 · PC2 0.4252PC1 1.896 · PC2 -0.04868PC1 -0.2682 · PC2 0.1565PC1 -0.8438 · PC2 0.5022PC1 -0.2535 · PC2 -0.129PC1 -0.9183 · PC2 0.7972PC1 1.539 · PC2 0.4877PC1 0.8592 · PC2 -0.0551PC1 0.5568 · PC2 0.7353PC1 3.576 · PC2 0.4855PC1 0.7502 · PC2 0.9471PC1 -0.7087 · PC2 0.7781PC1 -0.476 · PC2 0.4126PC1 -0.8095 · PC2 0.1797PC1 -1.469 · PC2 0.5048PC1 -1.178 · PC2 0.524PC1 -1.257 · PC2 0.5209PC1 -0.9189 · PC2 0.5007PC1 -0.3257 · PC2 0.8532PC1 -1.778 · PC2 0.3983PC1 -1.338 · PC2 0.317PC1 1.366 · PC2 1.596PC1 -1.087 · PC2 0.6302PC1 -0.3681 · PC2 0.6631PC1 0.7414 · PC2 1.076PC1 0.05244 · PC2 0.7479PC1 0.04238 · PC2 0.6793PC1 -0.382 · PC2 -0.0506PC1 0.5379 · PC2 0.6329PC1 1.64 · PC2 -0.2671PC1 0.7303 · PC2 0.9124PC1 0.9719 · PC2 -0.3148PC1 0.04755 · PC2 0.9856PC1 -0.6198 · PC2 0.6467PC1 1.26 · PC2 0.9207PC1 -0.3903 · PC2 0.5841PC1 -0.4768 · PC2 0.4229PC1 -0.3787 · PC2 0.5222PC1 3.184 · PC2 -0.06864PC1 -1.226 · PC2 0.56PC1 4.328 · PC2 -0.7449PC1 -0.5294 · PC2 0.5488PC1 -0.301 · PC2 0.7081PC1 -0.679 · PC2 0.8075PC1 -0.9868 · PC2 0.5015PC1 -0.9066 · PC2 0.6172PC1 0.1146 · PC2 0.7567PC1 0.6588 · PC2 0.8537PC1 0.6295 · PC2 0.9575PC1 -0.7515 · PC2 0.6768PC1 -0.2024 · PC2 0.79PC1 -0.283 · PC2 0.6891PC1 -0.1979 · PC2 0.5635PC1 0.749 · PC2 1.249PC1 -0.7565 · PC2 0.5PC1 -0.8656 · PC2 0.5832PC1 -0.7973 · PC2 0.7091PC1 (83.6%)PC2 (5.6%)429 scores
View plotted PCA coordinates

Point numbers identify rows in this displayed coordinate list, not original observation or sample IDs. Non-integer coordinates use up to five significant digits. Original IDs, component loadings, preprocessing details and the observation selection method are not supplied with this plot.

Plotted observation positions (not original sample IDs)
PointPC1 scorePC2 score
1-2.0252-0.86685
2-1.1418-0.44305
3-0.77653-0.3224
4-0.9681-0.45776
50.22166-0.31798
6-0.22159-0.22515
7-0.47119-0.17886
81.425-0.31042
9-0.44099-0.26755
10-0.88115-0.26579
11-0.52285-0.22454
12-1.8011-0.79944
13-0.94244-0.26603
14-1.1595-0.30298
15-1.5715-0.42136
161.66290.51106
171.20870.38513
180.841480.29556
190.836880.27929
200.452640.19399
21-0.20150.10954
220.133760.13991
23-1.7888-0.81074
24-0.79501-0.15743
25-0.96815-0.20523
26-0.90007-0.36474
27-1.6108-0.41948
282.87060.43121
291.85780.30998
301.39730.27846
310.30089-0.010428
320.450920.0073903
330.18871-0.048952
34-1.87-0.66
35-0.28232-0.2055
36-0.39546-0.27706
37-1.2904-0.41004
38-1.1377-0.38098
39-0.77013-0.42219
400.495620.24464
410.261380.25816
42-0.163550.1864
430.190050.15285
440.418330.13721
45-1.997-0.74756
46-0.314440.051013
47-0.38332-0.036445
48-0.63594-0.12205
49-0.48527-0.20408
50-1.0501-0.32446
51-1.0047-0.41902
523.98690.56153
532.44330.22127
541.83030.038536
550.62223-0.19684
56-1.3085-0.61741
57-0.32121-0.18422
58-0.48032-0.35783
590.092029-0.27056
60-0.54769-0.29212
61-1.3931-0.43325
62-1.2641-0.45388
63-1.1991-0.43645
642.39250.25083
651.23610.10394
660.48285-0.17413
67-1.1532-0.55587
68-0.10759-0.24228
69-0.55386-0.20911
70-0.64576-0.27743
71-0.13504-0.32631
72-0.70354-0.47141
73-1.1625-0.4083
74-1.2947-0.45617
75-1.5521-0.44405
761.13950.49448
771.23310.33258
78-1.3673-0.5613
790.522120.1961
800.0191370.0083213
81-0.33602-0.079212
82-0.17461-0.057348
83-0.72882-0.23052
84-0.5446-0.23193
85-1.1107-0.24266
86-1.4023-0.40063
87-1.3911-0.33682
88-1.3598-0.48417
89-1.6928-0.29525
900.22582-0.30248
9115.514-2.9045
9213.867-2.4518
931.30960.47133
942.68950.1679
951.47410.036083
961.94580.044717
97-2.1897-0.33225
98-0.38182-0.26137
99-1.5293-0.28789
100-1.7101-0.19104
1010.971960.034299
102-1.667-0.16045
103-2.2756-0.13193
104-1.1565-0.16569
105-1.9056-0.12266
106-1.8948-0.53017
107-0.91464-0.1761
108-1.5828-0.56745
109-0.41899-0.39329
110-0.90416-0.18754
111-1.4194-0.085651
1121.23430.087717
113-0.398180.032132
1140.124180.24686
115-0.434250.00030862
116-1.9862-0.29544
117-1.075-0.66611
1180.86508-0.15162
1190.52648-0.081345
1200.789180.019944
1210.69162-0.2263
1220.64120.099203
1233.3302-0.19551
1240.75470.10299
1250.3124-0.045704
126-1.8679-0.35183
127-1.1128-0.064321
1280.421220.040186
129-0.651870.080293
130-1.896-0.35715
1310.496710.42133
132-0.44792-0.083051
133-0.20003-0.22254
134-0.16357-0.34579
1352.04010.06654
136-1.4836-0.20062
1375.251-0.07719
1380.15590.22647
1391.01370.094064
140-1.0767-0.074205
141-0.81639-0.011614
1422.21560.24929
1431.62970.2775
144-0.79847-0.34744
1453.15660.37135
146-0.067963-0.11819
147-0.20729-0.27724
1483.3866-3.1596e-05
149-1.7034-0.39436
150-0.749270.069377
1511.5420.22836
152-0.135290.12283
1531.78540.19129
1541.15250.49794
155-1.7065-0.33152
156-1.5707-0.15397
1571.5772-0.19605
1581.7885-0.11928
159-1.7193-0.32651
160-0.83891-0.0028281
161-0.55136-0.1473
1620.066663-0.054324
1630.00573360.033906
164-1.3047-0.18868
165-1.038-0.3556
1660.843990.15399
167-1.0235-0.072002
1680.843850.023396
169-1.52-0.11042
170-0.78442-0.043594
171-1.0125-0.064697
172-1.0642-0.19968
173-0.68628-0.31786
174-0.22382-0.13611
175-0.614650.17896
176-0.42194-0.22576
1770.666820.26525
1781.4847-0.10465
1790.325450.17054
1802.10760.23533
1811.5387-0.19125
182-0.2936-0.17537
1830.63574-0.72025
184-0.36072-0.09016
185-0.79307-0.081264
186-0.44816-0.041681
187-0.27910.1321
188-0.4489-0.047875
189-0.69162-0.12435
190-0.29794-0.089471
191-0.76787-0.26707
192-1.0175-0.035606
193-0.1-0.16128
1940.49981-0.55173
195-0.22945-0.11517
196-0.84904-0.16288
197-1.5166-0.29477
198-0.39469-0.090427
199-0.48277-0.10793
2000.060032-0.051671
2010.84363-0.91371
202-0.42545-0.097789
2030.74118-0.84896
204-0.57163-0.056639
205-0.42142-0.11059
206-0.261270.00058146
207-0.73605-0.0084507
208-0.71627-0.17707
209-1.0179-0.23607
2101.2241-0.84664
2115.8689-1.1096
212-0.69682-0.0034278
213-0.37358-0.15067
2140.0204670.11313
215-0.69104-0.070239
216-0.4931-0.1224
217-0.43825-0.0014651
218-0.559460.002577
2190.052889-0.024795
220-0.19955-0.19023
221-0.511850.15547
222-0.360390.10422
223-0.88408-0.22006
224-0.31809-0.0076444
225-1.2378-0.08939
226-0.17106-0.016971
2270.0753090.21869
228-0.63619-0.04896
229-0.11186-0.052914
230-0.294120.07712
231-0.35138-0.039215
232-1.041-0.21964
233-0.313030.12139
234-0.91327-0.059602
235-0.85127-0.10633
2360.469810.26216
2370.27297-0.46858
238-0.163350.18989
239-0.78379-0.017675
240-0.776190.01986
241-0.45719-0.095267
242-0.813330.015707
243-0.94801-0.10179
244-0.84912-0.020524
245-1.1367-0.18771
246-1.3979-0.37531
247-0.489590.012302
248-1.204-0.090449
249-0.136810.13648
250-1.1697-0.1395
251-0.62125-0.024907
252-0.196040.46157
253-0.98079-0.27058
254-1.1514-0.38755
255-0.87462-0.22653
256-1.6743-0.40252
257-0.24099-0.55035
258-1.6233-0.37574
259-1.3303-0.2682
260-0.68763-0.036111
2613.9649-0.0028607
262-1.2438-0.21029
263-0.64311-0.36752
2640.279990.25552
2651.3370.76442
266-1.3432-0.25044
267-0.46327-0.13385
2683.53840.70113
2692.54830.30627
2700.75574-0.15808
271-2.023-0.41308
272-1.1407-0.23095
273-0.05977-0.12882
2745.15671.0983
2751.0446-0.051898
276-1.0923-0.4229
277-1.2637-0.43012
278-1.2005-0.53148
279-0.60447-0.067758
280-0.17277-0.0079516
281-0.47488-0.37163
282-0.65403-0.12629
283-0.97732-0.282
284-0.142140.0055974
2852.43840.48262
2864.20540.83707
287-0.364320.13273
288-1.3526-0.27097
2892.0798-0.25493
290-1.523-0.49849
291-0.467370.22213
292-0.52728-0.26018
293-1.4152-0.40511
2941.26790.44539
295-0.96546-0.31086
296-0.2988-0.26013
297-0.22591-0.62138
298-0.6113-0.18711
2993.2086-0.70402
3001.3167-0.20042
301-1.7015-0.47756
3021.0919-0.23386
3031.45791.3943
3042.1423-0.44448
3052.62710.19438
306-1.4139-0.17343
3070.0852660.36844
308-0.99143-0.20793
309-0.629050.30447
3100.715690.37168
311-1.178-0.15902
312-1.0821-0.21195
3130.56120.029598
3143.09351.1335
3150.42805-0.40697
3161.2593-0.37802
3171.64740.316
318-0.98276-0.1907
319-0.66721-0.32347
320-1.1099-0.31377
321-0.112110.20601
322-0.377980.042501
323-0.80368-0.11425
3241.36820.39833
325-0.826870.15872
326-1.9875-0.46604
3271.65060.32429
328-0.234420.30138
3290.666590.10274
330-1.0387-0.047857
331-0.525930.027012
3326.67970.3268
3336.5990.98754
334-1.1155-0.1858
3350.30792-0.21049
3361.88450.99201
337-1.7336-0.35934
338-0.910450.056655
3390.47113-0.064266
340-1.6721-0.37734
341-0.40476-0.10247
342-0.140520.1392
343-1.8475-0.36594
344-0.467210.027551
345-0.52654-0.029085
346-0.85095-0.16699
3471.81990.0074929
3481.57450.86518
349-1.7312-0.49565
350-0.53431-0.22425
3511.2844-0.15878
3527.0957-0.075601
3532.07050.43298
354-0.73683-0.34539
355-1.0357-0.30041
356-1.1146-0.17829
3571.315-0.017445
3582.83860.57431
3591.16130.061973
360-0.0294010.74143
361-0.343380.48032
362-1.4870.50469
3630.39371.1901
364-1.57310.33893
365-1.67320.57995
366-0.829770.77274
367-0.67350.63865
368-0.122731.007
369-0.70370.77875
370-0.0109380.063053
371-0.685050.54408
372-1.51770.33354
3730.183180.42521
3741.8961-0.048676
375-0.268250.15649
376-0.843830.50222
377-0.25352-0.12901
378-0.918320.79716
3791.53910.48767
3800.85917-0.055099
3810.556820.73526
3823.57570.48549
3830.750160.94711
384-0.708720.77812
385-0.476040.41257
386-0.809530.1797
387-1.46950.50482
388-1.17820.52404
389-1.25710.52086
390-0.918950.5007
391-0.325690.85316
392-1.7780.39828
393-1.33820.317
3941.36581.5959
395-1.08650.6302
396-0.368130.66307
3970.741371.0759
3980.0524370.74791
3990.0423850.67933
400-0.38204-0.050599
4010.537890.63293
4021.6398-0.26711
4030.730280.91235
4040.97192-0.31476
4050.0475480.98562
406-0.619790.6467
4071.25960.92065
408-0.390320.58408
409-0.476770.42292
410-0.378650.52223
4113.1838-0.068635
412-1.22590.55995
4134.3277-0.74487
414-0.529390.54877
415-0.300970.70806
416-0.6790.80747
417-0.98680.50147
418-0.906560.61719
4190.114610.75671
4200.65880.8537
4210.629550.95747
422-0.751540.67683
423-0.202430.79
424-0.283050.68911
425-0.197920.56355
4260.7491.2489
427-0.756540.49998
428-0.865560.58324
429-0.797320.70914

PCA explained variance — how many dimensions?

Each bar reports the share of spectral variance explained by a component. Concentration in the first components indicates correlated wavelengths. This is not variance explained in the prediction target. This projection may use a different observation sample from the score plot.

PCA explained variance0%25%50%75%100%PC1: 83.6% (cumulative 83.6%)1PC2: 5.6% (cumulative 89.2%)2PC3: 4.0% (cumulative 93.1%)3PC4: 3.2% (cumulative 96.3%)4PC5: 1.1% (cumulative 97.4%)5PC6: 0.8% (cumulative 98.2%)6PC7: 0.4% (cumulative 98.7%)7PC8: 0.2% (cumulative 98.9%)8PC9: 0.2% (cumulative 99.1%)9PC10: 0.1% (cumulative 99.2%)10cumulative explained variancePC variancecumulativeprincipal component · cumulative (dashed)
View explained variance values
Variance per displayed principal component
ComponentSpectral variance
PC183.59%
PC25.58%
PC33.97%
PC43.19%
PC51.09%
PC60.79%
PC70.44%
PC80.25%
PC90.17%
PC100.15%

NIRONE averaged NIR

X_nirone · NIR · NIRONE

Read the signal and variation summaries for this source. Axis unit: nm; signal representation: absorbance.

Spectral signal summary

The mean and median describe the typical signal at each channel; shaded bands show the 25th–75th and 5th–95th percentiles across observations. A wider band means greater variation, which can be biological or instrumental.

NIRONE averaged NIR spectra0.00.20.40.60.81,5001,6001,7001,8001,9002,000q05-q95 envelopeq25-q75 envelopemedian spectrummedianq25–q75q05–q95wavelength / nm1,550nm — median 0.34 (q25–q75 0.26–0.4401)1,552nm — median 0.3404 (q25–q75 0.26–0.4403)1,556nm — median 0.3412 (q25–q75 0.2602–0.4406)1,558nm — median 0.3415 (q25–q75 0.2605–0.4407)1,562nm — median 0.3421 (q25–q75 0.2605–0.4408)1,564nm — median 0.3422 (q25–q75 0.2604–0.441)1,568nm — median 0.3419 (q25–q75 0.2605–0.441)1,570nm — median 0.3416 (q25–q75 0.2606–0.4409)1,574nm — median 0.3411 (q25–q75 0.2606–0.4405)1,576nm — median 0.3408 (q25–q75 0.2611–0.44)1,578nm — median 0.3406 (q25–q75 0.2618–0.4395)1,582nm — median 0.3415 (q25–q75 0.2628–0.4385)1,584nm — median 0.342 (q25–q75 0.2633–0.4378)1,588nm — median 0.3427 (q25–q75 0.2645–0.437)1,590nm — median 0.3423 (q25–q75 0.2654–0.4364)1,594nm — median 0.3424 (q25–q75 0.2667–0.435)1,596nm — median 0.3419 (q25–q75 0.2676–0.4344)1,598nm — median 0.3413 (q25–q75 0.2685–0.4337)1,602nm — median 0.342 (q25–q75 0.2704–0.4364)1,604nm — median 0.3418 (q25–q75 0.2711–0.4374)1,608nm — median 0.3408 (q25–q75 0.2719–0.4369)1,610nm — median 0.3399 (q25–q75 0.272–0.4361)1,614nm — median 0.339 (q25–q75 0.2725–0.4353)1,616nm — median 0.3389 (q25–q75 0.2738–0.4348)1,620nm — median 0.3401 (q25–q75 0.2755–0.4391)1,622nm — median 0.3393 (q25–q75 0.276–0.4386)1,624nm — median 0.3401 (q25–q75 0.2768–0.4382)1,628nm — median 0.3401 (q25–q75 0.2802–0.4387)1,630nm — median 0.3397 (q25–q75 0.2821–0.4383)1,634nm — median 0.3417 (q25–q75 0.2856–0.4378)1,636nm — median 0.3432 (q25–q75 0.288–0.4378)1,640nm — median 0.3443 (q25–q75 0.2914–0.4379)1,642nm — median 0.345 (q25–q75 0.2929–0.4378)1,644nm — median 0.3464 (q25–q75 0.2948–0.4383)1,648nm — median 0.3486 (q25–q75 0.298–0.4427)1,650nm — median 0.3487 (q25–q75 0.3003–0.4432)1,654nm — median 0.3522 (q25–q75 0.3027–0.4453)1,656nm — median 0.3522 (q25–q75 0.3036–0.4476)1,660nm — median 0.3533 (q25–q75 0.3055–0.4536)1,662nm — median 0.3537 (q25–q75 0.307–0.4546)1,666nm — median 0.3562 (q25–q75 0.3114–0.4616)1,668nm — median 0.3574 (q25–q75 0.3122–0.4643)1,670nm — median 0.3591 (q25–q75 0.3133–0.4664)1,674nm — median 0.3603 (q25–q75 0.3164–0.4677)1,676nm — median 0.3606 (q25–q75 0.3182–0.4682)1,680nm — median 0.3617 (q25–q75 0.3208–0.4694)1,682nm — median 0.3626 (q25–q75 0.3211–0.4702)1,686nm — median 0.3633 (q25–q75 0.3209–0.4714)1,688nm — median 0.364 (q25–q75 0.321–0.4719)1,692nm — median 0.3646 (q25–q75 0.3213–0.473)1,694nm — median 0.3644 (q25–q75 0.3221–0.4735)1,696nm — median 0.3637 (q25–q75 0.3225–0.4737)1,700nm — median 0.3641 (q25–q75 0.323–0.4751)1,702nm — median 0.3645 (q25–q75 0.3231–0.4756)1,706nm — median 0.3651 (q25–q75 0.3234–0.4769)1,708nm — median 0.3651 (q25–q75 0.3236–0.4778)1,712nm — median 0.3665 (q25–q75 0.3234–0.478)1,714nm — median 0.3681 (q25–q75 0.3237–0.4777)1,716nm — median 0.368 (q25–q75 0.324–0.4778)1,720nm — median 0.368 (q25–q75 0.324–0.4793)1,722nm — median 0.3683 (q25–q75 0.3241–0.4802)1,726nm — median 0.369 (q25–q75 0.324–0.481)1,728nm — median 0.369 (q25–q75 0.3238–0.4814)1,732nm — median 0.3693 (q25–q75 0.3244–0.4833)1,734nm — median 0.3691 (q25–q75 0.3245–0.4834)1,738nm — median 0.3693 (q25–q75 0.3239–0.4831)1,740nm — median 0.3693 (q25–q75 0.324–0.4829)1,742nm — median 0.3692 (q25–q75 0.3241–0.4826)1,746nm — median 0.369 (q25–q75 0.3234–0.4815)1,748nm — median 0.369 (q25–q75 0.3234–0.482)1,752nm — median 0.3687 (q25–q75 0.3229–0.4829)1,754nm — median 0.3685 (q25–q75 0.3231–0.4833)1,758nm — median 0.3683 (q25–q75 0.3234–0.4841)1,760nm — median 0.3683 (q25–q75 0.3226–0.4846)1,762nm — median 0.3669 (q25–q75 0.3227–0.4849)1,766nm — median 0.3658 (q25–q75 0.3219–0.4847)1,768nm — median 0.3658 (q25–q75 0.3215–0.4843)1,772nm — median 0.3659 (q25–q75 0.3212–0.484)1,774nm — median 0.3658 (q25–q75 0.321–0.4838)1,778nm — median 0.3656 (q25–q75 0.3202–0.4835)1,780nm — median 0.3656 (q25–q75 0.3202–0.4835)1,784nm — median 0.3646 (q25–q75 0.3198–0.4835)1,786nm — median 0.3645 (q25–q75 0.3197–0.4833)1,788nm — median 0.3644 (q25–q75 0.3198–0.4822)1,792nm — median 0.364 (q25–q75 0.3196–0.4817)1,794nm — median 0.3639 (q25–q75 0.3192–0.4818)1,798nm — median 0.363 (q25–q75 0.3187–0.482)1,800nm — median 0.3629 (q25–q75 0.3185–0.482)1,804nm — median 0.3622 (q25–q75 0.3181–0.4824)1,806nm — median 0.3624 (q25–q75 0.3178–0.4824)1,808nm — median 0.3625 (q25–q75 0.3177–0.4826)1,812nm — median 0.3619 (q25–q75 0.3174–0.4822)1,814nm — median 0.3618 (q25–q75 0.3173–0.4821)1,818nm — median 0.3617 (q25–q75 0.3169–0.483)1,820nm — median 0.3616 (q25–q75 0.3169–0.483)1,824nm — median 0.3612 (q25–q75 0.3167–0.4828)1,826nm — median 0.3611 (q25–q75 0.3166–0.4826)1,830nm — median 0.3607 (q25–q75 0.3164–0.4823)1,832nm — median 0.3604 (q25–q75 0.3164–0.4818)1,834nm — median 0.36 (q25–q75 0.3161–0.481)1,838nm — median 0.3594 (q25–q75 0.3155–0.4794)1,840nm — median 0.3592 (q25–q75 0.3152–0.4788)1,844nm — median 0.3586 (q25–q75 0.3145–0.4783)1,846nm — median 0.3583 (q25–q75 0.3139–0.4782)1,850nm — median 0.3578 (q25–q75 0.3129–0.4771)1,852nm — median 0.3575 (q25–q75 0.3128–0.4766)1,856nm — median 0.3573 (q25–q75 0.3118–0.4757)1,858nm — median 0.3576 (q25–q75 0.3114–0.4755)1,860nm — median 0.3577 (q25–q75 0.311–0.4754)1,864nm — median 0.3576 (q25–q75 0.3108–0.4752)1,866nm — median 0.3576 (q25–q75 0.3107–0.4761)1,870nm — median 0.3583 (q25–q75 0.3109–0.4771)1,872nm — median 0.3585 (q25–q75 0.3115–0.4765)1,876nm — median 0.3595 (q25–q75 0.3122–0.476)1,878nm — median 0.3602 (q25–q75 0.3128–0.4756)1,880nm — median 0.3611 (q25–q75 0.3135–0.4753)1,884nm — median 0.3626 (q25–q75 0.3153–0.4746)1,886nm — median 0.3637 (q25–q75 0.3163–0.4746)1,890nm — median 0.3664 (q25–q75 0.3187–0.478)1,892nm — median 0.3679 (q25–q75 0.3191–0.4799)1,896nm — median 0.371 (q25–q75 0.3214–0.4837)1,898nm — median 0.372 (q25–q75 0.3224–0.4855)1,902nm — median 0.3743 (q25–q75 0.3241–0.4885)1,904nm — median 0.3744 (q25–q75 0.3258–0.4911)1,906nm — median 0.3761 (q25–q75 0.3264–0.4935)1,910nm — median 0.3801 (q25–q75 0.3274–0.4988)1,912nm — median 0.3824 (q25–q75 0.3279–0.4994)1,916nm — median 0.386 (q25–q75 0.3291–0.5044)1,918nm — median 0.3879 (q25–q75 0.3302–0.5053)1,922nm — median 0.3911 (q25–q75 0.3311–0.5056)1,924nm — median 0.3912 (q25–q75 0.3312–0.5059)1,926nm — median 0.3914 (q25–q75 0.3316–0.5063)1,930nm — median 0.3928 (q25–q75 0.3324–0.5072)1,932nm — median 0.3936 (q25–q75 0.3329–0.5082)1,936nm — median 0.3938 (q25–q75 0.3342–0.5098)1,938nm — median 0.3941 (q25–q75 0.3351–0.5104)1,942nm — median 0.3951 (q25–q75 0.3364–0.5113)1,944nm — median 0.3961 (q25–q75 0.337–0.5116)1,948nm — median 0.3977 (q25–q75 0.3385–0.5136)1,950nm — median 0.3985 (q25–q75 0.3387–0.5132)

Sampling

How many observations and spectral channels were exported, and how the wavelength axis is spaced. Reading guide

Wavelengths
?Number of spectral channels. A channel can represent wavelength, wavenumber or another feature axis.
201
Axis range
?Lowest and highest recorded spectral-axis coordinates, in the stated unit.
1,550–1,950 nm
Mean spacing
?Average difference between adjacent spectral-axis coordinates; compare only within the same unit.
2 nm
Grid
?Uniform means adjacent axis spacings are approximately equal. An irregular grid may need care when applying derivatives.
uniform
Observations
?Exported spectral rows in this source, including repeated measurements when present.
341

Signal & quality

Signal level and roughness summaries. These depend on the signal representation and are not instrument acceptance tests. Reading guide

Value range
?Minimum and maximum recorded spectral values, in the original signal representation.
0.147 – 1.48
Mean range
?Minimum and maximum of the mean spectrum across spectral channels.
0.372 – 0.442
Mean level
?Average signal over observations and channels. The historical key mean_reflectance may also store other signal representations.
0.406
Area
?Trapezoidal integral of the mean spectrum over the sorted recorded axis; its unit is signal multiplied by axis unit.
162.4
PTP
?Peak-to-peak: maximum minus minimum of the mean spectrum. Low values indicate little variation along the mean spectrum.
0.07042
Noise RMS
?Historical roughness sigma proxy from robust second differences. Narrow genuine bands can also raise it; this is not repeat-measured instrument noise.
5.7885e-05
Roughness S/N proxy
?Average absolute signal divided by the roughness proxy. Higher means smoother signal relative to its amplitude, not certified instrument SNR.
7e+03
Roughness S/N proxy dB
?20 log10 of the roughness signal-to-noise proxy. Units are decibels; compare only compatible signal representations.
8e+01 dB
Dynamic range
?Maximum minus minimum of the mean spectrum. Its magnitude depends on the signal representation.
0.0704
Smoothness
?Mean per-spectrum RMS of second differences, in signal units. Smaller values indicate smoother spectra under this protocol.
0.0001801
Saturated
?Fraction at the observed global maximum; a heuristic indicator, not a comparison with known detector limits.
0.0%
X-outliers
?Number flagged by the qualification outlier method. An unusual spectrum can be valid and should not be discarded automatically.
195

Integrity & artefacts

Missing values, narrow spikes and abrupt jumps to investigate in the original spectra. Reading guide

NaN ratio
?Missing spectral cells divided by all spectral cells, displayed as a percentage.
0.00%
Inf count
?Number of positive or negative infinite spectral values; investigate invalid calculations or export.
0
Zero ratio
?Exactly zero spectral cells divided by all cells. Zero can be a valid measurement and is not automatically missing.
0.00%
Spike count
?Local narrow peaks flagged by the second-difference heuristic; real sharp spectral bands may also be flagged.
0
Spike rate
?Fraction of tested second-difference positions flagged as spikes, displayed as a percentage.
0.00%
Jump count
?Adjacent-channel changes flagged by the first-difference heuristic, potentially including detector joins.
102
Jump rate
?Fraction of tested adjacent-channel differences flagged as jumps, displayed as a percentage.
0.15%
Clip fraction
?Fraction of finite cells near the observed global minimum or maximum; inspect detector limits before concluding saturation.
0.00%

Shape & reference

Variation relative to this dataset's mean spectrum; the mean is not an independently measured calibration reference. Reading guide

Baseline slope
?Linear slope fitted to the mean spectrum over an axis normalized to 0–1. It describes total baseline change, not change per physical axis unit.
0.057765
Curvature RMS
?Median per-spectrum RMS of second differences, summarizing curvature and high-frequency variation.
0.00015066
D1 RMS
?Median per-spectrum RMS of adjacent-channel first differences; reflects both real spectral structure and artefacts.
0.00090777
RMS to mean
?Root mean square distance to this dataset's mean spectrum, in signal units.
0.090028
RMS p95
?95th percentile of distances to the mean spectrum: 95% of observations have a distance at or below this value.
0.2681
SAM to mean
?Spectral Angle Mapper: angle to the mean spectrum, in radians. Smaller angles indicate more similar shapes.
0.050804
SAM p95
?95th percentile of spectral angles to the dataset mean, in radians. It is less sensitive to overall amplitude than RMS.
0.094779
Affine offset p95
?95th percentile of absolute fitted offsets when matching each spectrum to the dataset mean.
0.80611
Affine gain p95 Δ
?95th percentile of the absolute gain deviation from 1 in the fit to the mean spectrum.
1.9548
Affine residual p95
?95th percentile of residual RMS after gain and offset correction to the mean spectrum.
0.023034
Xcorr lag p95
?95th percentile of the absolute cross-correlation shift relative to the mean spectrum, in spectral channels.
20

Outliers & repeatability

Unusual spectra and within-ID dispersion. Repeated IDs do not by themselves establish technical repetitions. Reading guide

PCA Q p95/median
?Q (squared prediction error) is variation left outside the retained PCA subspace. The displayed ratio compares its 95th percentile with its median.
7.4
Hotelling T2 p95/median
?Hotelling T² measures distance within the retained PCA subspace, scaled by component variance. Ratio of the 95th percentile to the median.
9.6
Mahalanobis H p95/median
?Distance from the PCA-score center after variance scaling. Ratio of the 95th percentile to the median; large values identify relatively extreme spectra.
3.1
Repeat groups
?Number of IDs with several observations. Source documentation is needed to decide whether these are technical repeats, positions or time points.
0

Dimensionality (PCA)

Principal component analysis (PCA) compresses correlated wavelengths into components. This describes spectral variation, without using prediction targets. Reading guide

Effective rank
?Entropy-based summary of the variance distribution across components. Larger values indicate variation spread across more dimensions.
1.1
PCs → 95% var
?Number of principal components needed to explain 95% of spectral variance, when reached by the computed projection.
1
PCs → 99% var
?Number of principal components needed to explain 99% of spectral variance, when reached by the computed projection.
2
Top-10 cum. var
?Fraction of spectral variance explained by up to the first ten computed principal components, displayed as a percentage.
100.0%
Computed metric scores 30highest alert 1.00

Value is the measured quantity; alert score is its heuristic mapping to 0–1. Levels are weak below 0.42, medium from 0.42, and strong from 0.72. These are display bands, not calibrated acceptance thresholds. A dash means unavailable, never zero. Possible causes are suggestions to investigate. Use each metric’s ? control for its meaning and scoring: hover for a hint, or expand it with a tap, Enter or Space.

FamilyComputed metricValueAlert scoreHeuristic levelDescriptive interpretationPossible causes to verifyCalculation / scoring
Data integrityInvalid/masked cell count (owner report)
?Count of cells reported unavailable by the native owner under its null or validity mask. This count is distinct from the historical NaN ratio; consult the recorded population and denominator. Scoring: No alert mapping is defined for this metric; an unavailable score does not mean a zero measured value. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
integrity.missing_cells		——not calculableNot enough information to score this metric on this dataset.Missing data or validity mask; not evidence of an acquisition causeNative Preflight count of cells unavailable under x/null and valid_mask; denominator stays in native_metric.denominators.n_cells. Not legacy NaN ratio.
Data integrityNaN ratio
?Missing spectral cells divided by all spectral cells, displayed as a percentage. Scoring: alert = min(1, nan_ratio / 0.05). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
integrity.nan_ratio		0%0.00weakFull spectrumAcquisition/export errorcount(isnan(X)) / X.sizealert = min(1, nan_ratio / 0.05)
Data integrityInf count
?Number of positive or negative infinite spectral values; investigate invalid calculations or export. Scoring: alert = min(1, inf_count / 1). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
integrity.inf_count		00.00weakNormalInvalid calculationscount(isinf(X))alert = min(1, inf_count / 1)
Data integrityZero ratio
?Exactly zero spectral cells divided by all cells. Zero can be a valid measurement and is not automatically missing. Scoring: alert = min(1, zero_ratio / 0.05). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
integrity.zero_ratio		0%0.00weakNormalExport, saturationcount(X == 0) / count(finite X)alert = min(1, zero_ratio / 0.05)
Overall amplitudeMean reflectance
?Average signal over observations and channels. The historical key mean_reflectance may also store other signal representations. Scoring: alert reuses baseline/shape drift because absolute reflectance ranges are technology-dependent. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
amplitude.mean_reflectance		0.405970.36weakToo darkBackground, geometrymean(X finite)alert reuses baseline/shape drift because absolute reflectance ranges are technology-dependent
Overall amplitudeArea under curve
?Trapezoidal integral of the mean spectrum over the sorted recorded axis; its unit is signal multiplied by axis unit. Scoring: alert reuses baseline/shape drift because area scale depends on axis and units. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
amplitude.area_under_curve		162.390.36weakNormalProbe distancetrapezoid(mean_spectrum, spectral_axis)alert reuses baseline/shape drift because area scale depends on axis and units
Overall amplitudePeak-to-peak (PTP)
?Peak-to-peak: maximum minus minimum of the mean spectrum. Low values indicate little variation along the mean spectrum. Scoring: alert increases when dynamic range is abnormally flat. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
amplitude.peak_to_peak		0.0704210.00weakStrong variabilitySaturationmax(mean_spectrum) - min(mean_spectrum)alert increases when dynamic range is abnormally flat
Overall amplitudeVariance
?Variance of all finite spectral cells, in squared signal units. It combines variation across observations and channels; a small value can describe a flat signal. Scoring: alert increases when variance/dynamic range is abnormally flat. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
amplitude.variance		0.0245460.00weakNormal or heterogeneousBad contactvar(X finite)alert increases when variance/dynamic range is abnormally flat
NoiseRoughness sigma proxy
?Historical roughness sigma proxy from robust second differences. Narrow genuine bands can also raise it; this is not repeat-measured instrument noise. Scoring: alert = noise_rms / signal_scale, saturated at 5%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
noise.roughness_sigma_proxy		5.7885e-050.00weakStableLamp, detectormedian MAD(second derivative) * 1.4826 / sqrt(6)alert = noise_rms / signal_scale, saturated at 5%
NoiseRoughness S/N proxy
?Average absolute signal divided by the roughness proxy. Higher means smoother signal relative to its amplitude, not certified instrument SNR. Scoring: alert decreases with SNR dB; >=40 dB is treated as low alert. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
noise.roughness_signal_to_noise_proxy		7013.30.00weakGood signalAcquisitionmean(abs(X)) / noise_rmsalert decreases with SNR dB; >=40 dB is treated as low alert
NoiseBandwise roughness S/N proxy
?Minimum channel-wise ratio of absolute mean signal to local second-difference roughness. A smaller ratio identifies a weak or rough spectral region; genuine narrow bands and near-zero signal can also lower it. This is not certified instrument SNR. Scoring: alert decreases with worst-band SNR dB; >=35 dB is treated as low alert. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
noise.bandwise_roughness_signal_to_noise_proxy_min		38970.00weakReliable zoneDetectormin(abs(mean_spectrum) / local second-derivative noise)alert decreases with worst-band SNR dB; >=35 dB is treated as low alert
Local artifactsSpike count
?Local narrow peaks flagged by the second-difference heuristic; real sharp spectral bands may also be flagged. Scoring: alert follows spike_rate, saturated at 1%. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.spike_count		00.00weakClean spectrumCosmic rays, splicecount robust outliers in second derivativealert follows spike_rate, saturated at 1%
Local artifactsSpike rate
?Fraction of tested second-difference positions flagged as spikes, displayed as a percentage. Scoring: alert = min(1, spike_rate / 0.01). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.spike_rate		0%0.00weakNormalInterpolationspike_count / (n_samples * (n_features - 2))alert = min(1, spike_rate / 0.01)
Local artifactsJump count
?Adjacent-channel changes flagged by the first-difference heuristic, potentially including detector joins. Scoring: alert follows jump_rate, saturated at 1%. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.jump_count		1020.15weakContinuousSplicecount robust outliers in first derivativealert follows jump_rate, saturated at 1%
Local artifactsJump rate
?Fraction of tested adjacent-channel differences flagged as jumps, displayed as a percentage. Scoring: alert = min(1, jump_rate / 0.01). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.jump_rate		0.15%0.15weakNormalCalibrationjump_count / (n_samples * (n_features - 1))alert = min(1, jump_rate / 0.01)
Local artifactsClip fraction
?Fraction of finite cells near the observed global minimum or maximum; inspect detector limits before concluding saturation. Scoring: alert = min(1, clip_fraction / 0.01). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.clip_fraction		0.00292%0.00weakNormalDetector saturatedfraction of finite cells equal to repeated min/max extremaalert = min(1, clip_fraction / 0.01)
Spectral formBaseline slope
?Linear slope fitted to the mean spectrum over an axis normalized to 0–1. It describes total baseline change, not change per physical axis unit. Scoring: alert = abs(slope / signal_scale), saturated at 0.5. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
shape.baseline_slope		0.0577650.28weakStableIlluminationlinear slope of mean_spectrum over normalized axisalert = abs(slope / signal_scale), saturated at 0.5
Spectral formCurvature RMS
?Median per-spectrum RMS of second differences, summarizing curvature and high-frequency variation. Scoring: alert = curvature_rms / signal_scale, saturated at 1%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
shape.curvature_rms		0.000150660.04weakSmoothBackground, splicemedian RMS(second derivative per spectrum)alert = curvature_rms / signal_scale, saturated at 1%
Spectral formD1 RMS
?Median per-spectrum RMS of adjacent-channel first differences; reflects both real spectral structure and artefacts. Scoring: alert = d1_rms / signal_scale, saturated at 5%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
shape.d1_rms		0.000907770.04weakFlatBiology or artifactmedian RMS(first derivative per spectrum)alert = d1_rms / signal_scale, saturated at 5%
Multivariate outliersPCA Q (SPE)
?Q (squared prediction error) is variation left outside the retained PCA subspace. The displayed ratio compares its 95th percentile with its median. Scoring: alert = min(1, pca_q_ratio / 8). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
outliers.pca_q_ratio		7.37530.92strongAtypical spectrumArtifact, mixturep95(Q/SPE residual) / median(Q/SPE residual)alert = min(1, pca_q_ratio / 8)
Multivariate outliersHotelling T²
?Hotelling T² measures distance within the retained PCA subspace, scaled by component variance. Ratio of the 95th percentile to the median. Scoring: alert = min(1, hotelling_t2_ratio / 8). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
outliers.hotelling_t2_ratio		9.59411.00strongExtreme but consistentNatural variabilityp95(Hotelling T2) / median(Hotelling T2)alert = min(1, hotelling_t2_ratio / 8)
Multivariate outliersMahalanobis H
?Distance from the PCA-score center after variance scaling. Ratio of the 95th percentile to the median; large values identify relatively extreme spectra. Scoring: alert = min(1, mahalanobis_h_ratio / 4). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
outliers.mahalanobis_h_ratio		3.09740.77strongGlobal outlierDifferent domainp95(sqrt(T2)) / median(sqrt(T2))alert = min(1, mahalanobis_h_ratio / 4)
Comparison to average spectrumRMS to mean spectrum
?95th percentile of distances to the mean spectrum: 95% of observations have a distance at or below this value. Scoring: alert = RMS_p95 / signal_scale, saturated at 25%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
reference.rms_to_mean_spectrum_p95		0.26811.00strongDifferent spectrumDomain shiftp95 RMS distance to dataset mean spectrumalert = RMS_p95 / signal_scale, saturated at 25%
Comparison to average spectrumSpectral Angle Mapper (SAM)
?95th percentile of spectral angles to the dataset mean, in radians. It is less sensitive to overall amplitude than RMS. Scoring: alert = min(1, SAM_p95 / 0.35 rad). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
reference.sam_to_mean_spectrum_p95		0.0947790.27weakSimilarBackground, geometryp95 spectral angle to dataset mean spectrumalert = min(1, SAM_p95 / 0.35 rad)
RepeatabilityRMS intra-ID
?Within-ID root mean square deviation from the group's mean spectrum, in signal units. Repeated IDs require documentation before this spread can be called technical repeatability. Scoring: alert = RMS_intra_ID / signal_scale, saturated at 10%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
repeatability.rms_intra_id		——not calculableNot enough information to score this metric on this dataset.Positioningmedian RMS distance to repeated-sample centroidalert = RMS_intra_ID / signal_scale, saturated at 10%
RepeatabilitySAM intra-ID
?Within-ID spectral angle to the group's mean spectrum, in radians. Repeated IDs require documentation before this spread can be called technical repeatability. Scoring: alert = min(1, SAM_intra_ID / 0.15 rad). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
repeatability.sam_intra_id		——not calculableNot enough information to score this metric on this dataset.Acquisitionmedian SAM to repeated-sample centroidalert = min(1, SAM_intra_ID / 0.15 rad)
RepeatabilityCV intra-ID
?Within-ID coefficient of variation: standard deviation relative to absolute mean; unstable near zero signal. Repeated IDs require documentation before this spread can be called technical repeatability. Scoring: alert = min(1, CV_intra_ID / 0.25). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
repeatability.cv_intra_id		——not calculableNot enough information to score this metric on this dataset.Operatormedian within-ID band CValert = min(1, CV_intra_ID / 0.25)
Structure of the datasetPCA score density
?Inverse median distance to nearby observations in retained PCA-score space. Larger raw values mean more closely spaced observations; scale depends on the PCA representation. The alert uses density variation, so raw density alone does not establish an anomaly. Scoring: alert follows density_cv/profile structure complexity, not raw density alone. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
structure.pca_score_density		27.3621.00strongSubpopulationsDifferent batches1 / median kNN distance in PCA score spacealert follows density_cv/profile structure complexity, not raw density alone
Structure of the datasetkNN distance ratio (not LOF)
?95th percentile of mean k-nearest-neighbor distance divided by the population median of that distance, in PCA-score space. Values above 1 indicate an upper tail with more isolated observations; valid rare spectra can also be isolated. This distance ratio is not the Local Outlier Factor algorithm. Scoring: alert = min(1, max(0, kNN_distance_ratio_p95 - 1) / 2). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
structure.knn_distance_ratio_p95		6.9711.00strongIsolated spectrumRare casesp95(mean kNN distance / median population mean kNN distance) in PCA-score space; not LOFalert = min(1, max(0, kNN_distance_ratio_p95 - 1) / 2)
Structure of the datasetIsolation Forest score
?95th percentile of the negated Isolation Forest score in retained PCA-score space. Larger raw scores indicate easier isolation under that model; the scale is implementation-dependent. The displayed alert reuses structure complexity rather than directly mapping this raw score. Scoring: alert follows structure complexity; raw score is implementation-dependent. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
structure.isolation_forest_score_p95		0.576971.00strongAtypical spectrumVarious causesp95 IsolationForest anomaly score on PCA scoresalert follows structure complexity; raw score is implementation-dependent

PCA score plot — explore spectral variation

Source NIRONE averaged NIR: 341 of 341 source observations are plotted. PC1 captures 98.0% and PC2 1.5% of the reported spectral variance: 99.5% together; 0.5% remains outside this view.

Principal component analysis (PCA) summarizes spectral differences without using targets. The horizontal PC1 axis captures the largest variation; vertical PC2 captures the next largest direction of variation. Each dot is one observation; repeated measurements need not be distinct samples. Scores are projection coordinates, not wavelengths or target values. Nearby dots have similar projections; separate groups or isolated dots are leads to inspect in the original spectra and acquisition metadata. Overlapping dots can differ in omitted dimensions. The dots have no class or batch labels, so this view cannot identify groups, confirm defective observations, explain a chemical cause or measure prediction accuracy.

NIRONE averaged NIR PCA score plot-505101520-1.0-0.50.00.51.0PC1 -0.9149 · PC2 -0.143PC1 -2.31 · PC2 -0.0175PC1 0.458 · PC2 0.5884PC1 0.06893 · PC2 0.06369PC1 0.3006 · PC2 -0.02633PC1 -1.051 · PC2 0.06412PC1 0.07885 · PC2 0.02113PC1 0.6992 · PC2 -0.5227PC1 -1.049 · PC2 -0.4211PC1 5.08 · PC2 0.4257PC1 -0.5639 · PC2 -0.4337PC1 -1.104 · PC2 -0.4965PC1 3.174 · PC2 -0.6349PC1 -3.085 · PC2 0.0127PC1 -1.489 · PC2 0.2897PC1 0.7416 · PC2 -0.08894PC1 -0.4838 · PC2 -0.2527PC1 0.7663 · PC2 0.395PC1 0.9037 · PC2 0.7016PC1 -1.624 · PC2 0.1148PC1 0.9827 · PC2 -0.04586PC1 1.557 · PC2 0.5784PC1 -2.195 · PC2 -0.06213PC1 -1.616 · PC2 -0.206PC1 -0.6612 · PC2 -0.3479PC1 -1.061 · PC2 -0.4045PC1 -0.3221 · PC2 0.4471PC1 -1.956 · PC2 0.09282PC1 -1.94 · PC2 -0.1378PC1 -1.339 · PC2 0.08014PC1 0.3646 · PC2 0.101PC1 -1.759 · PC2 0.09285PC1 -1.389 · PC2 -0.06735PC1 -1.747 · PC2 -0.07382PC1 -1.811 · PC2 0.01503PC1 -1.682 · PC2 -0.1511PC1 -0.4965 · PC2 -0.3158PC1 -0.3185 · PC2 -0.1031PC1 -0.5326 · PC2 -0.4194PC1 2.594 · PC2 -0.4805PC1 -2.285 · PC2 0.05661PC1 -1.076 · PC2 -0.3498PC1 -2.485 · PC2 0.1162PC1 -2.578 · PC2 0.05709PC1 0.9879 · PC2 -0.03361PC1 -2.301 · PC2 0.1902PC1 -2.86 · PC2 0.0461PC1 -1.291 · PC2 0.1729PC1 -1.983 · PC2 0.1163PC1 -1.264 · PC2 -0.3509PC1 15.01 · PC2 -0.1333PC1 14.97 · PC2 -0.134PC1 0.7171 · PC2 0.6788PC1 2.51 · PC2 0.9676PC1 0.9496 · PC2 0.6033PC1 1.5 · PC2 -0.02358PC1 -2.372 · PC2 0.03897PC1 -2.996 · PC2 -0.0901PC1 -2.299 · PC2 -0.108PC1 1.638 · PC2 -0.1156PC1 -0.4657 · PC2 0.4968PC1 -0.2376 · PC2 0.4961PC1 -1.505 · PC2 0.2331PC1 -1.004 · PC2 0.4172PC1 1.117 · PC2 0.6935PC1 1.303 · PC2 -0.09612PC1 -2.246 · PC2 0.1089PC1 -3.134 · PC2 -0.08134PC1 0.37 · PC2 0.3406PC1 -1.226 · PC2 0.2306PC1 -1.387 · PC2 0.2498PC1 0.5142 · PC2 0.5629PC1 -0.762 · PC2 0.4704PC1 -0.6104 · PC2 0.324PC1 -0.8997 · PC2 0.4036PC1 -2.578 · PC2 0.07767PC1 0.8966 · PC2 0.301PC1 -0.07336 · PC2 0.4428PC1 0.0135 · PC2 0.4371PC1 0.2607 · PC2 0.3117PC1 -0.2942 · PC2 0.3982PC1 2.392 · PC2 0.439PC1 0.1648 · PC2 0.1993PC1 -0.6608 · PC2 0.4565PC1 -2.167 · PC2 0.03048PC1 -1.921 · PC2 0.04433PC1 -1.511 · PC2 -0.04559PC1 -2.137 · PC2 0.03267PC1 -0.4857 · PC2 0.4577PC1 -1.127 · PC2 0.2331PC1 -1.279 · PC2 0.1925PC1 -0.9692 · PC2 0.1672PC1 0.4721 · PC2 0.5324PC1 -2.665 · PC2 0.0407PC1 3.232 · PC2 0.0539PC1 0.66 · PC2 -0.1998PC1 -1.097 · PC2 -0.2454PC1 -1.335 · PC2 -0.2335PC1 -0.9007 · PC2 -0.2149PC1 -0.4863 · PC2 -0.2028PC1 -0.172 · PC2 -0.1844PC1 -1.15 · PC2 -0.2359PC1 -1.091 · PC2 -0.1929PC1 -1.27 · PC2 -0.215PC1 -0.7293 · PC2 -0.1751PC1 -0.8274 · PC2 -0.2333PC1 1.08 · PC2 -0.1932PC1 -0.9523 · PC2 -0.1817PC1 -0.7306 · PC2 -0.167PC1 -0.1479 · PC2 -0.126PC1 -0.05455 · PC2 -0.1544PC1 -0.5993 · PC2 -0.1898PC1 0.009846 · PC2 -0.353PC1 1.056 · PC2 -0.2295PC1 -1.186 · PC2 -0.1875PC1 0.9502 · PC2 -0.2317PC1 -1.064 · PC2 -0.1513PC1 -1.136 · PC2 -0.2178PC1 -0.8863 · PC2 -0.2346PC1 -1.26 · PC2 -0.2617PC1 -1.068 · PC2 -0.2499PC1 -0.7661 · PC2 -0.208PC1 1.32 · PC2 -0.2395PC1 6.801 · PC2 -0.1612PC1 -1.002 · PC2 -0.1836PC1 -0.9102 · PC2 -0.2614PC1 -0.8012 · PC2 -0.2174PC1 -0.9218 · PC2 -0.2207PC1 -0.6044 · PC2 -0.2094PC1 -0.4007 · PC2 -0.1914PC1 -0.9667 · PC2 -0.195PC1 -0.9963 · PC2 -0.1844PC1 -1.488 · PC2 -0.2689PC1 -0.5143 · PC2 -0.2557PC1 -0.9177 · PC2 -0.2929PC1 -1.211 · PC2 -0.06746PC1 -1.363 · PC2 -0.2961PC1 -1.821 · PC2 -0.2631PC1 -1.447 · PC2 -0.3211PC1 -0.8931 · PC2 -0.3297PC1 -0.6502 · PC2 -0.1403PC1 -1.297 · PC2 -0.1557PC1 -1.224 · PC2 -0.3211PC1 -1.173 · PC2 -0.3231PC1 -1.724 · PC2 -0.1865PC1 -0.6306 · PC2 -0.311PC1 -0.9483 · PC2 -0.3037PC1 -1.576 · PC2 -0.2784PC1 -1.012 · PC2 -0.3125PC1 -0.1824 · PC2 -0.2377PC1 -0.8849 · PC2 -0.3411PC1 -0.9626 · PC2 -0.3167PC1 -1.082 · PC2 -0.3166PC1 -1.266 · PC2 -0.32PC1 -0.8346 · PC2 -0.3104PC1 -1.152 · PC2 -0.1412PC1 -0.9626 · PC2 -0.1629PC1 -1.275 · PC2 -0.2561PC1 -1.109 · PC2 -0.1685PC1 -1.081 · PC2 -0.2745PC1 -1.28 · PC2 -0.2718PC1 -0.9962 · PC2 -0.3313PC1 -1.632 · PC2 -0.1199PC1 -1.329 · PC2 -0.3385PC1 0.1723 · PC2 0.01482PC1 -1.271 · PC2 -0.1147PC1 -1.741 · PC2 -0.1879PC1 -1.25 · PC2 0.2491PC1 -2.205 · PC2 0.112PC1 -0.2997 · PC2 0.1757PC1 -1.286 · PC2 0.1995PC1 -2.003 · PC2 0.1704PC1 -1.33 · PC2 -0.09105PC1 1.036 · PC2 -0.06427PC1 -2.555 · PC2 0.1469PC1 -2.586 · PC2 0.1372PC1 0.2552 · PC2 -0.2319PC1 0.6448 · PC2 0.6517PC1 -0.8656 · PC2 0.1439PC1 -1.45 · PC2 0.1021PC1 3.032 · PC2 0.6733PC1 1.247 · PC2 0.4358PC1 -0.726 · PC2 0.07522PC1 -2.363 · PC2 0.1113PC1 -1.449 · PC2 0.1662PC1 -1.234 · PC2 0.2494PC1 4.015 · PC2 -0.04PC1 1.251 · PC2 0.4142PC1 -1.558 · PC2 0.1869PC1 -1.529 · PC2 0.1306PC1 -2.018 · PC2 0.1134PC1 -1.416 · PC2 0.1582PC1 -0.9482 · PC2 -0.1997PC1 -0.9804 · PC2 0.2626PC1 -1.169 · PC2 0.3384PC1 -1.953 · PC2 0.02886PC1 -0.6657 · PC2 -0.1437PC1 1.965 · PC2 0.7747PC1 2.418 · PC2 0.1066PC1 -1.479 · PC2 0.315PC1 -2.329 · PC2 0.1285PC1 0.6841 · PC2 -0.08149PC1 -2.058 · PC2 0.09442PC1 -1.616 · PC2 -0.07665PC1 -1.263 · PC2 0.09621PC1 -1.991 · PC2 0.1414PC1 1.277 · PC2 -0.2532PC1 -1.592 · PC2 0.1172PC1 -0.1148 · PC2 0.2862PC1 -1.016 · PC2 0.06621PC1 -1.769 · PC2 0.212PC1 2.44 · PC2 -0.1557PC1 2.354 · PC2 -0.09649PC1 -2.3 · PC2 0.1277PC1 -0.1843 · PC2 0.3091PC1 1.164 · PC2 0.6088PC1 2.289 · PC2 -0.05359PC1 1.858 · PC2 0.1595PC1 -2.062 · PC2 0.1809PC1 -0.2515 · PC2 0.2184PC1 -1.44 · PC2 0.2046PC1 -0.659 · PC2 0.5646PC1 0.3545 · PC2 0.07847PC1 -1.169 · PC2 0.4365PC1 -1.047 · PC2 0.1308PC1 -1.285 · PC2 0.2365PC1 3.582 · PC2 -0.1671PC1 -0.5631 · PC2 0.05828PC1 -1.273 · PC2 0.1342PC1 1.575 · PC2 -0.04293PC1 -1.595 · PC2 0.2012PC1 -1.064 · PC2 -0.3085PC1 -1.195 · PC2 -0.2245PC1 -0.4417 · PC2 0.1464PC1 -1.628 · PC2 -0.3923PC1 -1.227 · PC2 0.2043PC1 0.4213 · PC2 -0.5586PC1 -1.145 · PC2 0.2279PC1 -2.67 · PC2 0.07423PC1 2.347 · PC2 0.8358PC1 -1.177 · PC2 -0.06652PC1 -0.5929 · PC2 -0.4153PC1 -1.156 · PC2 0.2679PC1 -1.527 · PC2 0.1116PC1 3.994 · PC2 0.482PC1 6.112 · PC2 -0.1505PC1 -2.01 · PC2 0.1649PC1 -1.1 · PC2 0.1661PC1 1.07 · PC2 0.7913PC1 -1.573 · PC2 -0.1195PC1 -2.002 · PC2 -0.09348PC1 -0.5667 · PC2 0.3131PC1 -2.136 · PC2 0.1387PC1 -1.033 · PC2 0.3663PC1 -1.462 · PC2 0.2592PC1 -1.864 · PC2 0.1676PC1 -1.162 · PC2 0.2054PC1 -1.696 · PC2 0.2619PC1 -1.857 · PC2 0.2055PC1 0.409 · PC2 -0.01238PC1 0.7793 · PC2 0.6066PC1 -2.699 · PC2 0.09361PC1 -1.609 · PC2 0.2457PC1 0.1998 · PC2 0.3417PC1 5.259 · PC2 0.8474PC1 1.924 · PC2 0.6068PC1 -1.266 · PC2 0.2137PC1 -1.928 · PC2 0.1931PC1 -2.017 · PC2 0.1288PC1 0.5123 · PC2 -0.07381PC1 0.8577 · PC2 0.07766PC1 2.79 · PC2 -0.1391PC1 1.371 · PC2 -0.149PC1 4.142 · PC2 -0.122PC1 0.9099 · PC2 -0.1388PC1 0.201 · PC2 -0.1648PC1 5.109 · PC2 -0.07291PC1 0.886 · PC2 -0.1566PC1 0.4153 · PC2 -0.07284PC1 1.591 · PC2 -0.1107PC1 -0.007978 · PC2 -0.07029PC1 1.404 · PC2 -0.07578PC1 1.981 · PC2 -0.07475PC1 1.896 · PC2 -0.05286PC1 1.352 · PC2 -0.09542PC1 2.038 · PC2 -0.002613PC1 2.024 · PC2 -0.08767PC1 1.091 · PC2 -0.0893PC1 2.777 · PC2 -0.253PC1 3.252 · PC2 -0.1229PC1 1.855 · PC2 -0.08353PC1 4.073 · PC2 -0.1341PC1 0.9229 · PC2 -0.08108PC1 0.1148 · PC2 -0.1674PC1 2.035 · PC2 -0.1453PC1 0.4484 · PC2 -0.1607PC1 2.981 · PC2 -0.1505PC1 0.4612 · PC2 -0.1215PC1 3.799 · PC2 -0.1214PC1 8.767 · PC2 -0.09716PC1 0.5874 · PC2 -0.1398PC1 1.418 · PC2 -0.1761PC1 0.6963 · PC2 -0.1281PC1 0.8061 · PC2 -0.1071PC1 5.906 · PC2 -0.09876PC1 3.102 · PC2 -0.1381PC1 6.508 · PC2 0.01129PC1 1.533 · PC2 -0.05279PC1 0.2795 · PC2 -0.2103PC1 3.297 · PC2 -0.1783PC1 4.251 · PC2 -0.179PC1 0.4313 · PC2 0.01053PC1 1.541 · PC2 -0.2022PC1 -0.3317 · PC2 -0.2077PC1 2.216 · PC2 -0.2285PC1 0.7072 · PC2 -0.2415PC1 2.764 · PC2 -0.05895PC1 0.9064 · PC2 -0.05351PC1 -0.2456 · PC2 -0.2218PC1 2.151 · PC2 -0.1818PC1 2.32 · PC2 -0.2031PC1 0.752 · PC2 -0.2171PC1 -0.4008 · PC2 -0.1962PC1 0.1969 · PC2 -0.2227PC1 2.053 · PC2 -0.173PC1 2 · PC2 -0.2654PC1 2.927 · PC2 -0.1447PC1 3.492 · PC2 -0.2289PC1 0.2101 · PC2 -0.231PC1 4.341 · PC2 -0.2438PC1 1.218 · PC2 0.005049PC1 2.063 · PC2 -0.03402PC1 -0.001649 · PC2 -0.1862PC1 -0.3605 · PC2 -0.09851PC1 0.6056 · PC2 -0.1842PC1 0.8869 · PC2 -0.2405PC1 -0.2834 · PC2 -0.2721PC1 -0.04465 · PC2 -0.07054PC1 -0.5988 · PC2 -0.2543PC1 3.833 · PC2 0.2514PC1 0.2038 · PC2 0.02063PC1 (98.0%)PC2 (1.5%)341 scores
View plotted PCA coordinates

Point numbers identify rows in this displayed coordinate list, not original observation or sample IDs. Non-integer coordinates use up to five significant digits. Original IDs, component loadings, preprocessing details and the observation selection method are not supplied with this plot.

Plotted observation positions (not original sample IDs)
PointPC1 scorePC2 score
1-0.91491-0.14301
2-2.3096-0.0175
30.457980.5884
40.0689320.063686
50.30056-0.026326
6-1.0510.064125
70.0788510.021131
80.69923-0.52269
9-1.0494-0.42113
105.07970.42566
11-0.5639-0.43366
12-1.104-0.49654
133.1743-0.6349
14-3.08530.012698
15-1.48870.28967
160.74156-0.088942
17-0.48381-0.25267
180.766340.39503
190.903650.70162
20-1.62390.11475
210.98269-0.045862
221.55680.57836
23-2.1953-0.06213
24-1.6165-0.20598
25-0.66116-0.34789
26-1.0606-0.40447
27-0.322130.44715
28-1.95590.092824
29-1.9399-0.1378
30-1.33910.080138
310.364650.10097
32-1.75950.092848
33-1.3892-0.067351
34-1.7467-0.073823
35-1.81130.015034
36-1.682-0.15111
37-0.49649-0.31578
38-0.3185-0.10307
39-0.53262-0.41943
402.5942-0.48052
41-2.28480.056612
42-1.0757-0.34979
43-2.48550.11625
44-2.57810.057089
450.98787-0.03361
46-2.30070.19018
47-2.86020.046098
48-1.29090.17289
49-1.98280.11633
50-1.2641-0.35094
5115.014-0.13326
5214.97-0.13395
530.717060.67878
542.50960.96757
550.949560.60326
561.4996-0.023582
57-2.37250.038967
58-2.996-0.090103
59-2.2992-0.10804
601.638-0.11564
61-0.465660.49678
62-0.23760.49614
63-1.50510.23312
64-1.0040.41724
651.11740.6935
661.3026-0.096119
67-2.24630.10891
68-3.134-0.081339
690.369950.34058
70-1.22640.23063
71-1.38660.2498
720.51420.56288
73-0.761960.47039
74-0.610390.32398
75-0.899690.40362
76-2.57750.07767
770.896610.30102
78-0.0733580.44277
790.0135040.4371
800.260740.31174
81-0.294240.3982
822.39230.43897
830.164790.19931
84-0.660830.45646
85-2.16660.030484
86-1.9210.044328
87-1.5106-0.045588
88-2.13650.032672
89-0.485710.45771
90-1.12660.23306
91-1.27870.19245
92-0.969160.16717
930.472050.53236
94-2.6650.040696
953.23150.053901
960.66-0.19979
97-1.097-0.2454
98-1.3351-0.2335
99-0.90067-0.21487
100-0.48629-0.20278
101-0.17201-0.18437
102-1.1496-0.23592
103-1.0906-0.19292
104-1.2701-0.215
105-0.72929-0.17512
106-0.8274-0.23332
1071.0802-0.19325
108-0.95235-0.18168
109-0.73063-0.16696
110-0.14787-0.12595
111-0.054548-0.15441
112-0.59926-0.18984
1130.0098458-0.35301
1141.0556-0.22948
115-1.1861-0.18753
1160.95015-0.23172
117-1.0642-0.15128
118-1.1355-0.21778
119-0.88626-0.2346
120-1.2601-0.26167
121-1.0679-0.24988
122-0.76614-0.208
1231.3199-0.23949
1246.8006-0.16123
125-1.0023-0.18357
126-0.91024-0.2614
127-0.80119-0.21737
128-0.92183-0.22074
129-0.6044-0.2094
130-0.40066-0.19142
131-0.96671-0.19496
132-0.99627-0.18443
133-1.4876-0.26889
134-0.51431-0.25571
135-0.91775-0.29285
136-1.2107-0.067463
137-1.3631-0.29607
138-1.8209-0.26306
139-1.4474-0.32114
140-0.89306-0.32966
141-0.65023-0.14033
142-1.2973-0.15573
143-1.2236-0.32109
144-1.1729-0.32309
145-1.7239-0.1865
146-0.6306-0.31104
147-0.94834-0.30373
148-1.5764-0.27841
149-1.0124-0.31246
150-0.18239-0.23775
151-0.88487-0.34113
152-0.96258-0.31669
153-1.0824-0.31658
154-1.2664-0.31996
155-0.83458-0.31041
156-1.152-0.1412
157-0.96262-0.16285
158-1.2754-0.2561
159-1.1094-0.16851
160-1.0815-0.27451
161-1.2802-0.27176
162-0.99623-0.33131
163-1.6323-0.11994
164-1.3294-0.33851
1650.172290.014818
166-1.2709-0.11466
167-1.741-0.18787
168-1.24950.24914
169-2.20530.11198
170-0.299680.17566
171-1.28640.19955
172-2.00320.17045
173-1.33-0.091054
1741.0361-0.064268
175-2.55490.14693
176-2.5860.1372
1770.25516-0.23195
1780.644750.65171
179-0.865610.14392
180-1.44980.10206
1813.03240.67332
1821.24660.43579
183-0.725970.075218
184-2.36330.11125
185-1.44940.16622
186-1.23430.24941
1874.0146-0.039995
1881.2510.41425
189-1.55790.18689
190-1.52930.13056
191-2.01810.1134
192-1.4160.15818
193-0.94821-0.19971
194-0.980390.26262
195-1.16860.33836
196-1.95280.028862
197-0.66567-0.14369
1981.96460.77473
1992.41810.10657
200-1.4790.31498
201-2.32910.12853
2020.6841-0.081487
203-2.05790.094422
204-1.616-0.076646
205-1.26270.096208
206-1.99140.14137
2071.2771-0.2532
208-1.59180.11723
209-0.114840.28622
210-1.01580.066214
211-1.7690.21203
2122.44-0.15567
2132.354-0.096492
214-2.30010.12772
215-0.184320.30914
2161.16410.60877
2172.2886-0.053588
2181.85770.15953
219-2.0620.18092
220-0.251490.21838
221-1.44030.20463
222-0.658980.56459
2230.354520.078473
224-1.16940.43649
225-1.04720.13078
226-1.28530.23648
2273.5818-0.16706
228-0.563110.058282
229-1.27290.13423
2301.5749-0.042931
231-1.5950.2012
232-1.064-0.30846
233-1.1949-0.22448
234-0.441660.14638
235-1.6285-0.39235
236-1.22650.20431
2370.42126-0.55863
238-1.1450.22786
239-2.670.074233
2402.34660.83582
241-1.1774-0.066517
242-0.59293-0.41527
243-1.1560.26786
244-1.52730.11159
2453.99410.48196
2466.1121-0.15046
247-2.00960.16491
248-1.09970.16612
2491.06990.79126
250-1.5731-0.11946
251-2.002-0.093478
252-0.566750.31315
253-2.13560.13865
254-1.03260.36627
255-1.46180.25922
256-1.86420.16756
257-1.16220.20537
258-1.69570.26187
259-1.85650.20547
2600.40901-0.012383
2610.779330.60657
262-2.69910.093611
263-1.60920.24569
2640.199770.34168
2655.25950.84737
2661.9240.60681
267-1.26590.21365
268-1.9280.19305
269-2.01660.1288
2700.51234-0.073809
2710.857690.077656
2722.7903-0.13911
2731.3711-0.14897
2744.1416-0.12199
2750.90987-0.13879
2760.201-0.16478
2775.109-0.072909
2780.88597-0.15665
2790.41533-0.072844
2801.5909-0.11073
281-0.0079776-0.070288
2821.4041-0.075781
2831.9815-0.074748
2841.8963-0.052858
2851.352-0.095417
2862.0376-0.0026129
2872.0239-0.08767
2881.0906-0.089303
2892.7767-0.25299
2903.2523-0.12294
2911.8554-0.083526
2924.0725-0.1341
2930.9229-0.081085
2940.11477-0.16745
2952.0349-0.14531
2960.44843-0.16068
2972.9813-0.15051
2980.46122-0.12146
2993.7986-0.12143
3008.7669-0.097155
3010.58736-0.13983
3021.4183-0.17612
3030.69633-0.12805
3040.80609-0.10712
3055.906-0.098756
3063.1016-0.1381
3076.50760.011293
3081.5333-0.052791
3090.27953-0.21028
3103.2969-0.1783
3114.2507-0.17904
3120.431250.010529
3131.5411-0.20218
314-0.33175-0.20772
3152.2163-0.22851
3160.70724-0.24155
3172.7645-0.058947
3180.90642-0.053514
319-0.24564-0.22178
3202.1512-0.18177
3212.3203-0.2031
3220.75201-0.21713
323-0.40078-0.19624
3240.19685-0.22269
3252.0529-0.17297
3261.9997-0.26538
3272.9273-0.14471
3283.4925-0.2289
3290.21008-0.23104
3304.3413-0.24377
3311.21830.0050493
3322.0629-0.034021
333-0.0016495-0.18617
334-0.36047-0.098514
3350.60564-0.18422
3360.8869-0.24054
337-0.28337-0.27207
338-0.044646-0.070536
339-0.59875-0.25431
3403.83340.25139
3410.203830.020633

PCA explained variance — how many dimensions?

Each bar reports the share of spectral variance explained by a component. Concentration in the first components indicates correlated wavelengths. This is not variance explained in the prediction target. This projection may use a different observation sample from the score plot.

PCA explained variance0%25%50%75%100%PC1: 98.0% (cumulative 98.0%)1PC2: 1.5% (cumulative 99.5%)2PC3: 0.4% (cumulative 99.9%)3PC4: 0.0% (cumulative 99.9%)4PC5: 0.0% (cumulative 100.0%)5PC6: 0.0% (cumulative 100.0%)6PC7: 0.0% (cumulative 100.0%)7PC8: 0.0% (cumulative 100.0%)8PC9: 0.0% (cumulative 100.0%)9PC10: 0.0% (cumulative 100.0%)10cumulative explained variancePC variancecumulativeprincipal component · cumulative (dashed)
View explained variance values
Variance per displayed principal component
ComponentSpectral variance
PC197.96%
PC21.54%
PC30.42%
PC40.03%
PC50.03%
PC60.01%
PC70.01%
PC80.00%
PC90.00%
PC100.00%

Consumer Physics SCiO averaged NIR

X_scio · NIR · Consumer Physics SCiO

Read the signal and variation summaries for this source. Axis unit: nm; signal representation: absorbance.

Spectral signal summary

The mean and median describe the typical signal at each channel; shaded bands show the 25th–75th and 5th–95th percentiles across observations. A wider band means greater variation, which can be biological or instrumental.

Consumer Physics SCiO averaged NIR spectra0.000.250.500.751.007008009001,0001,100q05-q95 envelopeq25-q75 envelopemedian spectrummedianq25–q75q05–q95wavelength / nm740nm — median 0.4498 (q25–q75 0.1816–0.6147)742nm — median 0.4499 (q25–q75 0.1821–0.6144)745nm — median 0.4504 (q25–q75 0.1822–0.6146)747nm — median 0.4508 (q25–q75 0.1827–0.6147)749nm — median 0.4518 (q25–q75 0.1832–0.6147)752nm — median 0.4528 (q25–q75 0.184–0.6147)754nm — median 0.4568 (q25–q75 0.1845–0.6152)757nm — median 0.4594 (q25–q75 0.1849–0.6156)759nm — median 0.4593 (q25–q75 0.1851–0.6158)761nm — median 0.4593 (q25–q75 0.1852–0.616)764nm — median 0.4592 (q25–q75 0.1852–0.6162)766nm — median 0.4593 (q25–q75 0.1852–0.6171)768nm — median 0.4601 (q25–q75 0.1851–0.6181)771nm — median 0.4602 (q25–q75 0.1851–0.6183)773nm — median 0.4602 (q25–q75 0.1853–0.6183)776nm — median 0.46 (q25–q75 0.1857–0.6182)778nm — median 0.4616 (q25–q75 0.1859–0.6191)780nm — median 0.4615 (q25–q75 0.1857–0.6192)783nm — median 0.4612 (q25–q75 0.1855–0.619)785nm — median 0.4634 (q25–q75 0.1855–0.6188)787nm — median 0.4648 (q25–q75 0.1855–0.6186)790nm — median 0.4648 (q25–q75 0.1855–0.6193)792nm — median 0.4647 (q25–q75 0.1854–0.6188)795nm — median 0.4647 (q25–q75 0.1851–0.6189)797nm — median 0.4646 (q25–q75 0.185–0.6192)799nm — median 0.4645 (q25–q75 0.1849–0.6197)802nm — median 0.4645 (q25–q75 0.1847–0.6214)804nm — median 0.4644 (q25–q75 0.1845–0.6212)806nm — median 0.4644 (q25–q75 0.1844–0.621)809nm — median 0.4645 (q25–q75 0.1841–0.6206)811nm — median 0.4644 (q25–q75 0.1839–0.6206)814nm — median 0.4644 (q25–q75 0.1836–0.6206)816nm — median 0.4643 (q25–q75 0.1834–0.6205)818nm — median 0.4643 (q25–q75 0.1832–0.6203)821nm — median 0.4644 (q25–q75 0.1836–0.6199)823nm — median 0.4644 (q25–q75 0.1839–0.6197)825nm — median 0.4644 (q25–q75 0.1841–0.6195)828nm — median 0.4642 (q25–q75 0.1843–0.6197)830nm — median 0.4641 (q25–q75 0.1841–0.6195)833nm — median 0.4641 (q25–q75 0.1839–0.6193)835nm — median 0.4641 (q25–q75 0.1838–0.6198)837nm — median 0.4641 (q25–q75 0.1836–0.6194)840nm — median 0.4641 (q25–q75 0.1834–0.6188)842nm — median 0.4641 (q25–q75 0.1833–0.6187)844nm — median 0.4642 (q25–q75 0.1832–0.6192)847nm — median 0.4642 (q25–q75 0.183–0.6187)849nm — median 0.4634 (q25–q75 0.1829–0.6184)852nm — median 0.4619 (q25–q75 0.1822–0.6192)854nm — median 0.4607 (q25–q75 0.1816–0.6181)856nm — median 0.4594 (q25–q75 0.1797–0.6161)859nm — median 0.4573 (q25–q75 0.1793–0.614)861nm — median 0.4558 (q25–q75 0.1794–0.613)863nm — median 0.4542 (q25–q75 0.1789–0.6116)866nm — median 0.4521 (q25–q75 0.1785–0.6103)868nm — median 0.45 (q25–q75 0.1776–0.6095)871nm — median 0.4436 (q25–q75 0.1759–0.6069)873nm — median 0.4408 (q25–q75 0.1759–0.6061)875nm — median 0.4418 (q25–q75 0.176–0.6053)878nm — median 0.4417 (q25–q75 0.1761–0.6058)880nm — median 0.4424 (q25–q75 0.1765–0.6056)882nm — median 0.443 (q25–q75 0.177–0.6055)885nm — median 0.445 (q25–q75 0.1774–0.6054)887nm — median 0.4451 (q25–q75 0.1773–0.6052)890nm — median 0.4441 (q25–q75 0.177–0.6039)892nm — median 0.4434 (q25–q75 0.1768–0.6032)894nm — median 0.4434 (q25–q75 0.1766–0.6021)897nm — median 0.4446 (q25–q75 0.176–0.6016)899nm — median 0.4427 (q25–q75 0.1757–0.6015)901nm — median 0.4408 (q25–q75 0.1759–0.6006)904nm — median 0.4393 (q25–q75 0.1757–0.6006)906nm — median 0.4395 (q25–q75 0.1755–0.6014)909nm — median 0.44 (q25–q75 0.1752–0.6018)911nm — median 0.4406 (q25–q75 0.1753–0.603)913nm — median 0.4425 (q25–q75 0.1754–0.6032)916nm — median 0.4458 (q25–q75 0.1757–0.6037)918nm — median 0.4481 (q25–q75 0.1754–0.6043)920nm — median 0.4501 (q25–q75 0.1757–0.6048)923nm — median 0.4503 (q25–q75 0.1765–0.6054)925nm — median 0.4502 (q25–q75 0.1767–0.6056)928nm — median 0.4497 (q25–q75 0.1769–0.6057)930nm — median 0.449 (q25–q75 0.1769–0.6057)932nm — median 0.4482 (q25–q75 0.178–0.6064)935nm — median 0.4476 (q25–q75 0.1785–0.6078)937nm — median 0.4493 (q25–q75 0.1788–0.6093)939nm — median 0.451 (q25–q75 0.1788–0.6107)942nm — median 0.4534 (q25–q75 0.1788–0.6125)944nm — median 0.4548 (q25–q75 0.178–0.6135)947nm — median 0.4555 (q25–q75 0.1779–0.6149)949nm — median 0.4544 (q25–q75 0.1779–0.6157)951nm — median 0.4545 (q25–q75 0.1779–0.616)954nm — median 0.455 (q25–q75 0.1776–0.6163)956nm — median 0.4552 (q25–q75 0.1773–0.6163)958nm — median 0.4553 (q25–q75 0.177–0.6163)961nm — median 0.4556 (q25–q75 0.1765–0.617)963nm — median 0.4557 (q25–q75 0.1761–0.6171)966nm — median 0.4542 (q25–q75 0.1755–0.6163)968nm — median 0.4529 (q25–q75 0.175–0.6156)970nm — median 0.4514 (q25–q75 0.1746–0.615)973nm — median 0.4486 (q25–q75 0.1739–0.6138)975nm — median 0.4465 (q25–q75 0.1734–0.6128)977nm — median 0.4457 (q25–q75 0.1729–0.6118)980nm — median 0.4447 (q25–q75 0.1722–0.61)982nm — median 0.444 (q25–q75 0.1713–0.6089)985nm — median 0.4426 (q25–q75 0.169–0.607)987nm — median 0.4419 (q25–q75 0.1678–0.6056)989nm — median 0.4415 (q25–q75 0.1666–0.6042)992nm — median 0.441 (q25–q75 0.1652–0.6021)994nm — median 0.4406 (q25–q75 0.1648–0.6008)996nm — median 0.4401 (q25–q75 0.1644–0.5995)999nm — median 0.4394 (q25–q75 0.1638–0.5977)1,001nm — median 0.4391 (q25–q75 0.1635–0.5969)1,004nm — median 0.4389 (q25–q75 0.1632–0.5961)1,006nm — median 0.4389 (q25–q75 0.1631–0.5958)1,008nm — median 0.4387 (q25–q75 0.1629–0.595)1,011nm — median 0.4381 (q25–q75 0.163–0.593)1,013nm — median 0.4378 (q25–q75 0.1625–0.5922)1,015nm — median 0.4379 (q25–q75 0.1622–0.592)1,018nm — median 0.4383 (q25–q75 0.1622–0.5921)1,020nm — median 0.4385 (q25–q75 0.162–0.5922)1,023nm — median 0.4387 (q25–q75 0.162–0.5919)1,025nm — median 0.4386 (q25–q75 0.1621–0.592)1,027nm — median 0.4385 (q25–q75 0.1622–0.592)1,030nm — median 0.4383 (q25–q75 0.1625–0.5921)1,032nm — median 0.4377 (q25–q75 0.1627–0.5921)1,034nm — median 0.4368 (q25–q75 0.1628–0.5917)1,037nm — median 0.4357 (q25–q75 0.1628–0.5916)1,039nm — median 0.4349 (q25–q75 0.1629–0.5913)1,042nm — median 0.4343 (q25–q75 0.1629–0.5907)1,044nm — median 0.4338 (q25–q75 0.163–0.5907)1,046nm — median 0.4331 (q25–q75 0.163–0.5904)1,049nm — median 0.4336 (q25–q75 0.1627–0.5898)1,051nm — median 0.434 (q25–q75 0.1625–0.5904)1,053nm — median 0.4345 (q25–q75 0.1625–0.591)1,056nm — median 0.4344 (q25–q75 0.1624–0.5906)1,058nm — median 0.4341 (q25–q75 0.1622–0.5902)1,061nm — median 0.4338 (q25–q75 0.162–0.5899)1,063nm — median 0.434 (q25–q75 0.162–0.5895)1,065nm — median 0.4344 (q25–q75 0.162–0.5899)1,068nm — median 0.4344 (q25–q75 0.1622–0.5909)1,070nm — median 0.4336 (q25–q75 0.162–0.5923)

Sampling

How many observations and spectral channels were exported, and how the wavelength axis is spaced. Reading guide

Wavelengths
?Number of spectral channels. A channel can represent wavelength, wavenumber or another feature axis.
331
Axis range
?Lowest and highest recorded spectral-axis coordinates, in the stated unit.
740–1,070 nm
Mean spacing
?Average difference between adjacent spectral-axis coordinates; compare only within the same unit.
1 nm
Grid
?Uniform means adjacent axis spacings are approximately equal. An irregular grid may need care when applying derivatives.
uniform
Observations
?Exported spectral rows in this source, including repeated measurements when present.
419

Signal & quality

Signal level and roughness summaries. These depend on the signal representation and are not instrument acceptance tests. Reading guide

Value range
?Minimum and maximum recorded spectral values, in the original signal representation.
0.00819 – 1.12
Mean range
?Minimum and maximum of the mean spectrum across spectral channels.
0.412 – 0.431
Mean level
?Average signal over observations and channels. The historical key mean_reflectance may also store other signal representations.
0.4238
Area
?Trapezoidal integral of the mean spectrum over the sorted recorded axis; its unit is signal multiplied by axis unit.
139.9
PTP
?Peak-to-peak: maximum minus minimum of the mean spectrum. Low values indicate little variation along the mean spectrum.
0.01955
Noise RMS
?Historical roughness sigma proxy from robust second differences. Narrow genuine bands can also raise it; this is not repeat-measured instrument noise.
1.5549e-05
Roughness S/N proxy
?Average absolute signal divided by the roughness proxy. Higher means smoother signal relative to its amplitude, not certified instrument SNR.
2.7e+04
Roughness S/N proxy dB
?20 log10 of the roughness signal-to-noise proxy. Units are decibels; compare only compatible signal representations.
9e+01 dB
Dynamic range
?Maximum minus minimum of the mean spectrum. Its magnitude depends on the signal representation.
0.0196
Smoothness
?Mean per-spectrum RMS of second differences, in signal units. Smaller values indicate smoother spectra under this protocol.
6.463e-05
Saturated
?Fraction at the observed global maximum; a heuristic indicator, not a comparison with known detector limits.
0.0%
X-outliers
?Number flagged by the qualification outlier method. An unusual spectrum can be valid and should not be discarded automatically.
235

Integrity & artefacts

Missing values, narrow spikes and abrupt jumps to investigate in the original spectra. Reading guide

NaN ratio
?Missing spectral cells divided by all spectral cells, displayed as a percentage.
0.00%
Inf count
?Number of positive or negative infinite spectral values; investigate invalid calculations or export.
0
Zero ratio
?Exactly zero spectral cells divided by all cells. Zero can be a valid measurement and is not automatically missing.
0.00%
Spike count
?Local narrow peaks flagged by the second-difference heuristic; real sharp spectral bands may also be flagged.
1,546
Spike rate
?Fraction of tested second-difference positions flagged as spikes, displayed as a percentage.
1.12%
Jump count
?Adjacent-channel changes flagged by the first-difference heuristic, potentially including detector joins.
384
Jump rate
?Fraction of tested adjacent-channel differences flagged as jumps, displayed as a percentage.
0.28%
Clip fraction
?Fraction of finite cells near the observed global minimum or maximum; inspect detector limits before concluding saturation.
0.00%

Shape & reference

Variation relative to this dataset's mean spectrum; the mean is not an independently measured calibration reference. Reading guide

Baseline slope
?Linear slope fitted to the mean spectrum over an axis normalized to 0–1. It describes total baseline change, not change per physical axis unit.
-0.017342
Curvature RMS
?Median per-spectrum RMS of second differences, summarizing curvature and high-frequency variation.
6.9008e-05
D1 RMS
?Median per-spectrum RMS of adjacent-channel first differences; reflects both real spectral structure and artefacts.
0.00030877
RMS to mean
?Root mean square distance to this dataset's mean spectrum, in signal units.
0.22082
RMS p95
?95th percentile of distances to the mean spectrum: 95% of observations have a distance at or below this value.
0.44109
SAM to mean
?Spectral Angle Mapper: angle to the mean spectrum, in radians. Smaller angles indicate more similar shapes.
0.020949
SAM p95
?95th percentile of spectral angles to the dataset mean, in radians. It is less sensitive to overall amplitude than RMS.
0.1634
Affine offset p95
?95th percentile of absolute fitted offsets when matching each spectrum to the dataset mean.
1.4564
Affine gain p95 Δ
?95th percentile of the absolute gain deviation from 1 in the fit to the mean spectrum.
3.3624
Affine residual p95
?95th percentile of residual RMS after gain and offset correction to the mean spectrum.
0.025415
Xcorr lag p95
?95th percentile of the absolute cross-correlation shift relative to the mean spectrum, in spectral channels.
33

Outliers & repeatability

Unusual spectra and within-ID dispersion. Repeated IDs do not by themselves establish technical repetitions. Reading guide

PCA Q p95/median
?Q (squared prediction error) is variation left outside the retained PCA subspace. The displayed ratio compares its 95th percentile with its median.
18
Hotelling T2 p95/median
?Hotelling T² measures distance within the retained PCA subspace, scaled by component variance. Ratio of the 95th percentile to the median.
4
Mahalanobis H p95/median
?Distance from the PCA-score center after variance scaling. Ratio of the 95th percentile to the median; large values identify relatively extreme spectra.
2
Repeat groups
?Number of IDs with several observations. Source documentation is needed to decide whether these are technical repeats, positions or time points.
0

Dimensionality (PCA)

Principal component analysis (PCA) compresses correlated wavelengths into components. This describes spectral variation, without using prediction targets. Reading guide

Effective rank
?Entropy-based summary of the variance distribution across components. Larger values indicate variation spread across more dimensions.
1.1
PCs → 95% var
?Number of principal components needed to explain 95% of spectral variance, when reached by the computed projection.
1
PCs → 99% var
?Number of principal components needed to explain 99% of spectral variance, when reached by the computed projection.
1
Top-10 cum. var
?Fraction of spectral variance explained by up to the first ten computed principal components, displayed as a percentage.
100.0%
Computed metric scores 30highest alert 1.00

Value is the measured quantity; alert score is its heuristic mapping to 0–1. Levels are weak below 0.42, medium from 0.42, and strong from 0.72. These are display bands, not calibrated acceptance thresholds. A dash means unavailable, never zero. Possible causes are suggestions to investigate. Use each metric’s ? control for its meaning and scoring: hover for a hint, or expand it with a tap, Enter or Space.

FamilyComputed metricValueAlert scoreHeuristic levelDescriptive interpretationPossible causes to verifyCalculation / scoring
Data integrityInvalid/masked cell count (owner report)
?Count of cells reported unavailable by the native owner under its null or validity mask. This count is distinct from the historical NaN ratio; consult the recorded population and denominator. Scoring: No alert mapping is defined for this metric; an unavailable score does not mean a zero measured value. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
integrity.missing_cells		——not calculableNot enough information to score this metric on this dataset.Missing data or validity mask; not evidence of an acquisition causeNative Preflight count of cells unavailable under x/null and valid_mask; denominator stays in native_metric.denominators.n_cells. Not legacy NaN ratio.
Data integrityNaN ratio
?Missing spectral cells divided by all spectral cells, displayed as a percentage. Scoring: alert = min(1, nan_ratio / 0.05). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
integrity.nan_ratio		0%0.00weakFull spectrumAcquisition/export errorcount(isnan(X)) / X.sizealert = min(1, nan_ratio / 0.05)
Data integrityInf count
?Number of positive or negative infinite spectral values; investigate invalid calculations or export. Scoring: alert = min(1, inf_count / 1). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
integrity.inf_count		00.00weakNormalInvalid calculationscount(isinf(X))alert = min(1, inf_count / 1)
Data integrityZero ratio
?Exactly zero spectral cells divided by all cells. Zero can be a valid measurement and is not automatically missing. Scoring: alert = min(1, zero_ratio / 0.05). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
integrity.zero_ratio		0%0.00weakNormalExport, saturationcount(X == 0) / count(finite X)alert = min(1, zero_ratio / 0.05)
Overall amplitudeMean reflectance
?Average signal over observations and channels. The historical key mean_reflectance may also store other signal representations. Scoring: alert reuses baseline/shape drift because absolute reflectance ranges are technology-dependent. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
amplitude.mean_reflectance		0.423840.33weakToo darkBackground, geometrymean(X finite)alert reuses baseline/shape drift because absolute reflectance ranges are technology-dependent
Overall amplitudeArea under curve
?Trapezoidal integral of the mean spectrum over the sorted recorded axis; its unit is signal multiplied by axis unit. Scoring: alert reuses baseline/shape drift because area scale depends on axis and units. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
amplitude.area_under_curve		139.870.33weakNormalProbe distancetrapezoid(mean_spectrum, spectral_axis)alert reuses baseline/shape drift because area scale depends on axis and units
Overall amplitudePeak-to-peak (PTP)
?Peak-to-peak: maximum minus minimum of the mean spectrum. Low values indicate little variation along the mean spectrum. Scoring: alert increases when dynamic range is abnormally flat. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
amplitude.peak_to_peak		0.019550.42mediumFlat spectrumSaturationmax(mean_spectrum) - min(mean_spectrum)alert increases when dynamic range is abnormally flat
Overall amplitudeVariance
?Variance of all finite spectral cells, in squared signal units. It combines variation across observations and channels; a small value can describe a flat signal. Scoring: alert increases when variance/dynamic range is abnormally flat. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
amplitude.variance		0.0677670.42mediumFlat spectrumBad contactvar(X finite)alert increases when variance/dynamic range is abnormally flat
NoiseRoughness sigma proxy
?Historical roughness sigma proxy from robust second differences. Narrow genuine bands can also raise it; this is not repeat-measured instrument noise. Scoring: alert = noise_rms / signal_scale, saturated at 5%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
noise.roughness_sigma_proxy		1.5549e-050.00weakStableLamp, detectormedian MAD(second derivative) * 1.4826 / sqrt(6)alert = noise_rms / signal_scale, saturated at 5%
NoiseRoughness S/N proxy
?Average absolute signal divided by the roughness proxy. Higher means smoother signal relative to its amplitude, not certified instrument SNR. Scoring: alert decreases with SNR dB; >=40 dB is treated as low alert. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
noise.roughness_signal_to_noise_proxy		272580.00weakGood signalAcquisitionmean(abs(X)) / noise_rmsalert decreases with SNR dB; >=40 dB is treated as low alert
NoiseBandwise roughness S/N proxy
?Minimum channel-wise ratio of absolute mean signal to local second-difference roughness. A smaller ratio identifies a weak or rough spectral region; genuine narrow bands and near-zero signal can also lower it. This is not certified instrument SNR. Scoring: alert decreases with worst-band SNR dB; >=35 dB is treated as low alert. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
noise.bandwise_roughness_signal_to_noise_proxy_min		3699.10.00weakReliable zoneDetectormin(abs(mean_spectrum) / local second-derivative noise)alert decreases with worst-band SNR dB; >=35 dB is treated as low alert
Local artifactsSpike count
?Local narrow peaks flagged by the second-difference heuristic; real sharp spectral bands may also be flagged. Scoring: alert follows spike_rate, saturated at 1%. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.spike_count		1,5461.00strongArtifactsCosmic rays, splicecount robust outliers in second derivativealert follows spike_rate, saturated at 1%
Local artifactsSpike rate
?Fraction of tested second-difference positions flagged as spikes, displayed as a percentage. Scoring: alert = min(1, spike_rate / 0.01). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.spike_rate		1.12%1.00strongSuspicious spectrumInterpolationspike_count / (n_samples * (n_features - 2))alert = min(1, spike_rate / 0.01)
Local artifactsJump count
?Adjacent-channel changes flagged by the first-difference heuristic, potentially including detector joins. Scoring: alert follows jump_rate, saturated at 1%. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.jump_count		3840.28weakContinuousSplicecount robust outliers in first derivativealert follows jump_rate, saturated at 1%
Local artifactsJump rate
?Fraction of tested adjacent-channel differences flagged as jumps, displayed as a percentage. Scoring: alert = min(1, jump_rate / 0.01). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.jump_rate		0.278%0.28weakNormalCalibrationjump_count / (n_samples * (n_features - 1))alert = min(1, jump_rate / 0.01)
Local artifactsClip fraction
?Fraction of finite cells near the observed global minimum or maximum; inspect detector limits before concluding saturation. Scoring: alert = min(1, clip_fraction / 0.01). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
artefacts.clip_fraction		0.00144%0.00weakNormalDetector saturatedfraction of finite cells equal to repeated min/max extremaalert = min(1, clip_fraction / 0.01)
Spectral formBaseline slope
?Linear slope fitted to the mean spectrum over an axis normalized to 0–1. It describes total baseline change, not change per physical axis unit. Scoring: alert = abs(slope / signal_scale), saturated at 0.5. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
shape.baseline_slope		-0.0173420.08weakStableIlluminationlinear slope of mean_spectrum over normalized axisalert = abs(slope / signal_scale), saturated at 0.5
Spectral formCurvature RMS
?Median per-spectrum RMS of second differences, summarizing curvature and high-frequency variation. Scoring: alert = curvature_rms / signal_scale, saturated at 1%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
shape.curvature_rms		6.9008e-050.02weakSmoothBackground, splicemedian RMS(second derivative per spectrum)alert = curvature_rms / signal_scale, saturated at 1%
Spectral formD1 RMS
?Median per-spectrum RMS of adjacent-channel first differences; reflects both real spectral structure and artefacts. Scoring: alert = d1_rms / signal_scale, saturated at 5%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
shape.d1_rms		0.000308770.01weakFlatBiology or artifactmedian RMS(first derivative per spectrum)alert = d1_rms / signal_scale, saturated at 5%
Multivariate outliersPCA Q (SPE)
?Q (squared prediction error) is variation left outside the retained PCA subspace. The displayed ratio compares its 95th percentile with its median. Scoring: alert = min(1, pca_q_ratio / 8). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
outliers.pca_q_ratio		17.5791.00strongAtypical spectrumArtifact, mixturep95(Q/SPE residual) / median(Q/SPE residual)alert = min(1, pca_q_ratio / 8)
Multivariate outliersHotelling T²
?Hotelling T² measures distance within the retained PCA subspace, scaled by component variance. Ratio of the 95th percentile to the median. Scoring: alert = min(1, hotelling_t2_ratio / 8). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
outliers.hotelling_t2_ratio		4.01120.50mediumExtreme but consistentNatural variabilityp95(Hotelling T2) / median(Hotelling T2)alert = min(1, hotelling_t2_ratio / 8)
Multivariate outliersMahalanobis H
?Distance from the PCA-score center after variance scaling. Ratio of the 95th percentile to the median; large values identify relatively extreme spectra. Scoring: alert = min(1, mahalanobis_h_ratio / 4). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
outliers.mahalanobis_h_ratio		2.00280.50mediumGlobal outlierDifferent domainp95(sqrt(T2)) / median(sqrt(T2))alert = min(1, mahalanobis_h_ratio / 4)
Comparison to average spectrumRMS to mean spectrum
?95th percentile of distances to the mean spectrum: 95% of observations have a distance at or below this value. Scoring: alert = RMS_p95 / signal_scale, saturated at 25%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
reference.rms_to_mean_spectrum_p95		0.441091.00strongDifferent spectrumDomain shiftp95 RMS distance to dataset mean spectrumalert = RMS_p95 / signal_scale, saturated at 25%
Comparison to average spectrumSpectral Angle Mapper (SAM)
?95th percentile of spectral angles to the dataset mean, in radians. It is less sensitive to overall amplitude than RMS. Scoring: alert = min(1, SAM_p95 / 0.35 rad). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
reference.sam_to_mean_spectrum_p95		0.16340.47mediumDifferent shapeBackground, geometryp95 spectral angle to dataset mean spectrumalert = min(1, SAM_p95 / 0.35 rad)
RepeatabilityRMS intra-ID
?Within-ID root mean square deviation from the group's mean spectrum, in signal units. Repeated IDs require documentation before this spread can be called technical repeatability. Scoring: alert = RMS_intra_ID / signal_scale, saturated at 10%. Signal scale is the larger of the absolute mean level and absolute peak-to-peak range, with a floor of 1e-12. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
repeatability.rms_intra_id		——not calculableNot enough information to score this metric on this dataset.Positioningmedian RMS distance to repeated-sample centroidalert = RMS_intra_ID / signal_scale, saturated at 10%
RepeatabilitySAM intra-ID
?Within-ID spectral angle to the group's mean spectrum, in radians. Repeated IDs require documentation before this spread can be called technical repeatability. Scoring: alert = min(1, SAM_intra_ID / 0.15 rad). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
repeatability.sam_intra_id		——not calculableNot enough information to score this metric on this dataset.Acquisitionmedian SAM to repeated-sample centroidalert = min(1, SAM_intra_ID / 0.15 rad)
RepeatabilityCV intra-ID
?Within-ID coefficient of variation: standard deviation relative to absolute mean; unstable near zero signal. Repeated IDs require documentation before this spread can be called technical repeatability. Scoring: alert = min(1, CV_intra_ID / 0.25). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
repeatability.cv_intra_id		——not calculableNot enough information to score this metric on this dataset.Operatormedian within-ID band CValert = min(1, CV_intra_ID / 0.25)
Structure of the datasetPCA score density
?Inverse median distance to nearby observations in retained PCA-score space. Larger raw values mean more closely spaced observations; scale depends on the PCA representation. The alert uses density variation, so raw density alone does not establish an anomaly. Scoring: alert follows density_cv/profile structure complexity, not raw density alone. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
structure.pca_score_density		13.7731.00strongSubpopulationsDifferent batches1 / median kNN distance in PCA score spacealert follows density_cv/profile structure complexity, not raw density alone
Structure of the datasetkNN distance ratio (not LOF)
?95th percentile of mean k-nearest-neighbor distance divided by the population median of that distance, in PCA-score space. Values above 1 indicate an upper tail with more isolated observations; valid rare spectra can also be isolated. This distance ratio is not the Local Outlier Factor algorithm. Scoring: alert = min(1, max(0, kNN_distance_ratio_p95 - 1) / 2). Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
structure.knn_distance_ratio_p95		3.06381.00strongIsolated spectrumRare casesp95(mean kNN distance / median population mean kNN distance) in PCA-score space; not LOFalert = min(1, max(0, kNN_distance_ratio_p95 - 1) / 2)
Structure of the datasetIsolation Forest score
?95th percentile of the negated Isolation Forest score in retained PCA-score space. Larger raw scores indicate easier isolation under that model; the scale is implementation-dependent. The displayed alert reuses structure complexity rather than directly mapping this raw score. Scoring: alert follows structure complexity; raw score is implementation-dependent. Higher alert scores indicate stronger heuristic concern, not a fault probability or an acceptance decision. A dash means unavailable.
structure.isolation_forest_score_p95		0.578771.00strongAtypical spectrumVarious causesp95 IsolationForest anomaly score on PCA scoresalert follows structure complexity; raw score is implementation-dependent

PCA score plot — explore spectral variation

Source Consumer Physics SCiO averaged NIR: 419 of 419 source observations are plotted. PC1 captures 99.3% and PC2 0.6% of the reported spectral variance: 99.9% together; 0.1% remains outside this view.

Principal component analysis (PCA) summarizes spectral differences without using targets. The horizontal PC1 axis captures the largest variation; vertical PC2 captures the next largest direction of variation. Each dot is one observation; repeated measurements need not be distinct samples. Scores are projection coordinates, not wavelengths or target values. Nearby dots have similar projections; separate groups or isolated dots are leads to inspect in the original spectra and acquisition metadata. Overlapping dots can differ in omitted dimensions. The dots have no class or batch labels, so this view cannot identify groups, confirm defective observations, explain a chemical cause or measure prediction accuracy.

Consumer Physics SCiO averaged NIR PCA score plot-10-5051015-2-10123PC1 -5.908 · PC2 0.04396PC1 -5.282 · PC2 -0.01438PC1 -4.554 · PC2 -0.02862PC1 -2.372 · PC2 -0.04742PC1 -3.767 · PC2 -0.001862PC1 -3.803 · PC2 0.00583PC1 -1.95 · PC2 -0.04882PC1 -4.125 · PC2 -0.1765PC1 -4.949 · PC2 -0.111PC1 -4.968 · PC2 -0.1061PC1 -3.77 · PC2 -0.1765PC1 -2.707 · PC2 -0.03492PC1 -5.36 · PC2 -0.0793PC1 -4.405 · PC2 -0.1198PC1 -5.12 · PC2 -0.05514PC1 -4.425 · PC2 -0.07965PC1 -5.353 · PC2 -0.04995PC1 -2.675 · PC2 -0.1435PC1 -4.468 · PC2 -0.03381PC1 -2.216 · PC2 -0.05595PC1 -3.021 · PC2 -0.06833PC1 -4.372 · PC2 -0.04095PC1 -4.284 · PC2 -0.02PC1 -4.944 · PC2 -0.03668PC1 -3.654 · PC2 -0.08134PC1 -4.147 · PC2 -0.06305PC1 -3.394 · PC2 -0.07923PC1 -5.124 · PC2 -0.03188PC1 -4.794 · PC2 -0.02782PC1 -5.589 · PC2 -0.01706PC1 -6.445 · PC2 0.02439PC1 -5.617 · PC2 0.01455PC1 -5.236 · PC2 0.003103PC1 -5.386 · PC2 -0.1355PC1 -3.645 · PC2 -1.476PC1 -4.006 · PC2 -0.08873PC1 -1.85 · PC2 -0.2024PC1 -1.842 · PC2 -0.1588PC1 -5.9 · PC2 0.4173PC1 -3.944 · PC2 -0.09167PC1 -5.733 · PC2 -0.02347PC1 -5.284 · PC2 0.000157PC1 -6.121 · PC2 0.1519PC1 -3.066 · PC2 0.03404PC1 -3.538 · PC2 -0.06874PC1 -4.301 · PC2 0.09902PC1 -3.84 · PC2 0.4119PC1 -5.332 · PC2 0.1044PC1 -4.903 · PC2 0.09629PC1 -4.652 · PC2 0.05647PC1 -4.976 · PC2 0.07396PC1 -4.225 · PC2 0.1106PC1 -1.211 · PC2 0.05403PC1 -3.534 · PC2 0.1815PC1 -4.388 · PC2 -0.1077PC1 -3.72 · PC2 -0.4889PC1 -5.194 · PC2 -0.2635PC1 -2.909 · PC2 -0.2832PC1 -4.982 · PC2 -0.2779PC1 -3.458 · PC2 -0.05121PC1 -3.292 · PC2 0.01495PC1 -2.63 · PC2 -0.4609PC1 -4.908 · PC2 -0.07135PC1 -2.988 · PC2 -0.0708PC1 -4.499 · PC2 -0.1828PC1 -4.915 · PC2 -0.04719PC1 -5.575 · PC2 0.03177PC1 -2.246 · PC2 -0.1083PC1 -0.3131 · PC2 -0.1461PC1 -5.338 · PC2 0.1215PC1 -3.714 · PC2 -0.06582PC1 -3.347 · PC2 -0.14PC1 -3.614 · PC2 -0.1675PC1 -5.608 · PC2 0.1267PC1 -5.825 · PC2 0.1692PC1 -5.449 · PC2 2.464e-05PC1 -4.177 · PC2 -0.1295PC1 -4.942 · PC2 -0.05808PC1 -5.314 · PC2 -0.06055PC1 -4.04 · PC2 -0.02873PC1 -5.412 · PC2 -0.06223PC1 -4.967 · PC2 -0.03782PC1 -3.62 · PC2 -0.08083PC1 -4.842 · PC2 -0.03948PC1 -5.211 · PC2 -0.1008PC1 -4.677 · PC2 -0.15PC1 -4.404 · PC2 -0.1423PC1 -4.971 · PC2 -0.2061PC1 -5.424 · PC2 -0.2738PC1 -3.816 · PC2 -0.1649PC1 -2.947 · PC2 -0.268PC1 -2.856 · PC2 -0.4426PC1 -3.272 · PC2 -0.5464PC1 -4.584 · PC2 -0.05203PC1 -6.547 · PC2 0.1056PC1 -6.359 · PC2 0.1551PC1 -6.422 · PC2 0.08643PC1 -6.301 · PC2 0.4PC1 -6.313 · PC2 0.09164PC1 -6.124 · PC2 0.06175PC1 -6.178 · PC2 0.2935PC1 -4.476 · PC2 0.346PC1 -5.262 · PC2 0.02811PC1 -4.63 · PC2 -0.03667PC1 -4.216 · PC2 0.1018PC1 -7.301 · PC2 0.1027PC1 -4.48 · PC2 -0.02496PC1 -6.867 · PC2 0.09714PC1 -5.927 · PC2 0.13PC1 -4.551 · PC2 -0.004691PC1 -6.899 · PC2 0.2178PC1 -6.483 · PC2 0.0128PC1 -6.559 · PC2 0.103PC1 -6.465 · PC2 0.06977PC1 -7.333 · PC2 0.1022PC1 -6.38 · PC2 0.0628PC1 -5.834 · PC2 0.3952PC1 -5.542 · PC2 0.04747PC1 -6.054 · PC2 0.4406PC1 -6.573 · PC2 0.1018PC1 -3.707 · PC2 -0.09113PC1 -7.192 · PC2 0.08271PC1 -7.54 · PC2 0.1008PC1 -6.506 · PC2 0.03162PC1 -4.672 · PC2 -0.008522PC1 -6.553 · PC2 0.4232PC1 -3.949 · PC2 -0.025PC1 -4.669 · PC2 -0.009972PC1 -6.594 · PC2 0.03765PC1 -6.927 · PC2 0.3237PC1 -5.916 · PC2 0.07848PC1 -5.592 · PC2 0.595PC1 -6.298 · PC2 0.0375PC1 -6.896 · PC2 0.3467PC1 -4.32 · PC2 0.1052PC1 -5.751 · PC2 0.08087PC1 -5.502 · PC2 0.1229PC1 -3.239 · PC2 0.1599PC1 -6.67 · PC2 0.1334PC1 -5.701 · PC2 0.05188PC1 -3.503 · PC2 0.06269PC1 -5.892 · PC2 0.4156PC1 -5.565 · PC2 0.5072PC1 -2.712 · PC2 -0.1544PC1 -6.178 · PC2 0.1706PC1 -5.446 · PC2 -0.01386PC1 -4.632 · PC2 0.08129PC1 -6.305 · PC2 0.5266PC1 -7.251 · PC2 0.09717PC1 -6.603 · PC2 0.113PC1 -6.072 · PC2 0.431PC1 -6.228 · PC2 -0.009101PC1 -4.552 · PC2 0.6853PC1 -6.589 · PC2 0.1441PC1 -5.963 · PC2 0.1074PC1 -5.886 · PC2 0.0552PC1 -7.099 · PC2 0.1728PC1 -4.32 · PC2 -0.03876PC1 -5.886 · PC2 0.09898PC1 -6.079 · PC2 -0.01566PC1 -6.594 · PC2 0.1188PC1 -6.747 · PC2 0.318PC1 -6.239 · PC2 0.2313PC1 -6.003 · PC2 0.1771PC1 -6.609 · PC2 0.1118PC1 7.144 · PC2 -0.4052PC1 0.8535 · PC2 -0.2401PC1 0.08913 · PC2 -0.153PC1 2.358 · PC2 -0.1237PC1 -1.681 · PC2 -0.02459PC1 3.196 · PC2 -0.1726PC1 2.72 · PC2 -0.114PC1 2.189 · PC2 -0.2786PC1 1.25 · PC2 0.009101PC1 1.812 · PC2 -0.006041PC1 3.661 · PC2 -0.05194PC1 3.234 · PC2 -0.23PC1 3.421 · PC2 -0.2612PC1 4.524 · PC2 -0.1286PC1 -2.179 · PC2 -0.03025PC1 2.512 · PC2 -0.2346PC1 4.01 · PC2 -0.2682PC1 -3.069 · PC2 -0.0741PC1 8.731 · PC2 -0.198PC1 6.337 · PC2 -0.3419PC1 0.2695 · PC2 -0.2001PC1 2.407 · PC2 -0.606PC1 3.352 · PC2 -0.3922PC1 -1.127 · PC2 -0.001881PC1 3.128 · PC2 -0.09024PC1 5.519 · PC2 -0.1484PC1 2.837 · PC2 -0.1271PC1 3.448 · PC2 -0.1684PC1 -0.7991 · PC2 0.01354PC1 -1.295 · PC2 -0.09647PC1 -2.714 · PC2 0.08612PC1 1.822 · PC2 -0.1219PC1 5.897 · PC2 -0.3553PC1 5.488 · PC2 -0.4311PC1 1.68 · PC2 -0.06922PC1 3.006 · PC2 -0.09581PC1 2.959 · PC2 -0.2882PC1 2.637 · PC2 -0.1342PC1 3.32 · PC2 -0.1475PC1 2.074 · PC2 -0.1378PC1 0.8957 · PC2 -0.11PC1 2.481 · PC2 -0.1231PC1 1.983 · PC2 -0.05778PC1 2.756 · PC2 -0.1675PC1 -1.187 · PC2 -0.04204PC1 0.6564 · PC2 -0.08404PC1 0.7609 · PC2 -0.01039PC1 -1.205 · PC2 -0.004132PC1 3.948 · PC2 -0.1464PC1 -1.719 · PC2 -0.06843PC1 4.397 · PC2 -0.1271PC1 -0.9557 · PC2 -0.001874PC1 0.4987 · PC2 -0.4401PC1 0.9012 · PC2 -0.05147PC1 1.642 · PC2 -0.09502PC1 1.22 · PC2 0.06265PC1 2.823 · PC2 -0.111PC1 4.765 · PC2 -0.3947PC1 3.054 · PC2 -0.1741PC1 -3.2 · PC2 -0.08335PC1 1.934 · PC2 -0.1441PC1 2.933 · PC2 -0.6592PC1 -3.077 · PC2 -0.09272PC1 -0.7938 · PC2 -0.1047PC1 1.029 · PC2 -0.08902PC1 5.219 · PC2 -0.1625PC1 3.98 · PC2 -0.4229PC1 4.252 · PC2 -0.3241PC1 3.038 · PC2 -0.1179PC1 1.177 · PC2 -0.03976PC1 3.035 · PC2 -0.1669PC1 2.203 · PC2 -0.181PC1 3.314 · PC2 -0.2005PC1 3.564 · PC2 -0.1389PC1 3.096 · PC2 -0.09573PC1 3.529 · PC2 -0.1667PC1 2.582 · PC2 -0.2289PC1 0.7746 · PC2 -0.1138PC1 4.113 · PC2 -0.2747PC1 0.2781 · PC2 -0.1578PC1 2.207 · PC2 -0.4579PC1 0.6601 · PC2 -0.09547PC1 2.684 · PC2 -0.05733PC1 1.644 · PC2 -0.1542PC1 3.227 · PC2 -0.1634PC1 4.324 · PC2 -0.2229PC1 -2.571 · PC2 -0.01951PC1 -0.3047 · PC2 -0.1131PC1 0.6663 · PC2 -0.1855PC1 1.005 · PC2 -0.07198PC1 2.279 · PC2 -0.03103PC1 -0.5466 · PC2 -0.1PC1 2.364 · PC2 -0.09851PC1 4.086 · PC2 -0.1879PC1 -4.314 · PC2 -0.02868PC1 2.247 · PC2 -0.1814PC1 2.914 · PC2 -0.05574PC1 -0.2623 · PC2 -0.04803PC1 -3.017 · PC2 -0.04822PC1 4.187 · PC2 -0.3083PC1 1.052 · PC2 -0.09552PC1 0.1277 · PC2 -0.07606PC1 3.742 · PC2 -0.1271PC1 -3.638 · PC2 -0.02495PC1 2.277 · PC2 -0.0106PC1 0.269 · PC2 -0.205PC1 3.141 · PC2 -0.1849PC1 -0.6836 · PC2 -0.09024PC1 2.466 · PC2 -0.1753PC1 3.204 · PC2 -0.3556PC1 3.555 · PC2 -0.1334PC1 3.94 · PC2 -0.04712PC1 5.867 · PC2 -0.1799PC1 -0.9067 · PC2 -0.04959PC1 0.7657 · PC2 -0.1175PC1 4.02 · PC2 -0.3538PC1 0.4214 · PC2 0.04892PC1 -0.2762 · PC2 -0.1141PC1 2.055 · PC2 -0.1216PC1 3.023 · PC2 -0.03723PC1 2.63 · PC2 -0.4132PC1 1.806 · PC2 -0.1282PC1 3.905 · PC2 -0.2033PC1 4.378 · PC2 -0.1245PC1 2.866 · PC2 -0.1809PC1 3.217 · PC2 -0.142PC1 1.22 · PC2 -0.1575PC1 3.106 · PC2 -0.1977PC1 1.011 · PC2 -0.1818PC1 2.95 · PC2 -0.4346PC1 2 · PC2 -0.2333PC1 2.186 · PC2 -0.06981PC1 3.822 · PC2 -0.1116PC1 -2.07 · PC2 0.03101PC1 2.59 · PC2 -0.1416PC1 2.452 · PC2 0.2372PC1 3.246 · PC2 -0.212PC1 6.698 · PC2 -0.1734PC1 1.408 · PC2 -0.1079PC1 -0.4813 · PC2 -0.161PC1 3.489 · PC2 -0.1009PC1 3.356 · PC2 -0.1635PC1 4.393 · PC2 -0.1588PC1 2.62 · PC2 -0.1681PC1 3.149 · PC2 -0.1503PC1 3.031 · PC2 -0.1378PC1 3.58 · PC2 -0.1467PC1 -0.6057 · PC2 -0.08409PC1 3.311 · PC2 -0.1466PC1 -1.894 · PC2 -0.09249PC1 0.7013 · PC2 -0.121PC1 2.701 · PC2 -0.1986PC1 -0.07186 · PC2 -0.1542PC1 1.152 · PC2 -0.09726PC1 0.7979 · PC2 -0.1047PC1 3.427 · PC2 -0.0691PC1 0.6053 · PC2 -0.09774PC1 3.238 · PC2 -0.1544PC1 2.601 · PC2 -0.3673PC1 3.836 · PC2 -0.2202PC1 0.2539 · PC2 -0.07487PC1 3.802 · PC2 -0.1668PC1 2.015 · PC2 -0.1139PC1 1.913 · PC2 -0.03466PC1 2.228 · PC2 -0.05054PC1 2.526 · PC2 0.4168PC1 5.348 · PC2 -0.3343PC1 1.489 · PC2 0.03435PC1 1.249 · PC2 -0.01852PC1 0.316 · PC2 -0.1195PC1 4.375 · PC2 -0.1049PC1 1.883 · PC2 -0.1253PC1 -0.5129 · PC2 -0.08612PC1 1.392 · PC2 -0.09011PC1 3.226 · PC2 -0.2402PC1 3.096 · PC2 -0.1255PC1 0.3842 · PC2 -0.1013PC1 1.926 · PC2 -0.1535PC1 1.714 · PC2 -0.2327PC1 1.969 · PC2 -0.1508PC1 0.7477 · PC2 -0.3177PC1 0.01092 · PC2 0.04542PC1 5.896 · PC2 -0.07561PC1 -0.4007 · PC2 0.05774PC1 1.58 · PC2 0.2787PC1 6.265 · PC2 -0.05325PC1 3.185 · PC2 1.619PC1 7.401 · PC2 0.03964PC1 9.42 · PC2 -0.2102PC1 6.296 · PC2 1.334PC1 7.02 · PC2 0.5466PC1 8.521 · PC2 -0.1586PC1 8.767 · PC2 -0.1418PC1 6.103 · PC2 0.2129PC1 2.455 · PC2 0.05145PC1 8.896 · PC2 -0.1926PC1 8.15 · PC2 -0.1357PC1 7.96 · PC2 0.2164PC1 8.014 · PC2 -0.1062PC1 6.228 · PC2 1.498PC1 7.68 · PC2 -0.421PC1 -0.9183 · PC2 0.01342PC1 6.834 · PC2 -0.163PC1 0.7566 · PC2 0.065PC1 10.4 · PC2 -0.1968PC1 7.556 · PC2 1.178PC1 5.65 · PC2 -0.1154PC1 4.607 · PC2 1.399PC1 7.619 · PC2 -0.04698PC1 5.804 · PC2 -0.2207PC1 -1.397 · PC2 -0.01268PC1 -2.127 · PC2 -0.0121PC1 7.31 · PC2 -0.2462PC1 10.19 · PC2 -0.15PC1 4.075 · PC2 1.822PC1 7.033 · PC2 -0.09544PC1 9.642 · PC2 -0.1974PC1 8.356 · PC2 -0.2569PC1 4.262 · PC2 2.372PC1 8.265 · PC2 0.03068PC1 7.058 · PC2 2.287PC1 8.126 · PC2 -0.2337PC1 4.521 · PC2 1.775PC1 8.306 · PC2 0.04377PC1 5.121 · PC2 -0.04548PC1 3.609 · PC2 0.1486PC1 7.827 · PC2 0.1051PC1 6.41 · PC2 0.1227PC1 7.428 · PC2 -0.05957PC1 7.759 · PC2 0.1154PC1 5.388 · PC2 1.433PC1 5.237 · PC2 1.316PC1 10.17 · PC2 -0.07772PC1 9.377 · PC2 0.1869PC1 8.106 · PC2 -0.3095PC1 4.405 · PC2 -0.05455PC1 6.551 · PC2 1.951PC1 3.475 · PC2 0.04685PC1 8.544 · PC2 -0.06645PC1 6.263 · PC2 1.588PC1 5.954 · PC2 1.291PC1 6.215 · PC2 0.09683PC1 7.867 · PC2 0.05517PC1 8.87 · PC2 -0.1374PC1 4.466 · PC2 0.6484PC1 9.913 · PC2 -0.1967PC1 5.22 · PC2 0.01461PC1 12.19 · PC2 -0.2962PC1 8.731 · PC2 -0.04761PC1 4.242 · PC2 1.613PC1 6.29 · PC2 0.631PC1 4.216 · PC2 0.1591PC1 7.414 · PC2 -0.02832PC1 7.75 · PC2 -0.3374PC1 (99.3%)PC2 (0.6%)419 scores
View plotted PCA coordinates

Point numbers identify rows in this displayed coordinate list, not original observation or sample IDs. Non-integer coordinates use up to five significant digits. Original IDs, component loadings, preprocessing details and the observation selection method are not supplied with this plot.

Plotted observation positions (not original sample IDs)
PointPC1 scorePC2 score
1-5.9080.043956
2-5.2822-0.014384
3-4.5543-0.028621
4-2.3722-0.047417
5-3.7672-0.0018618
6-3.80310.0058296
7-1.9503-0.048822
8-4.1254-0.17647
9-4.9487-0.11102
10-4.968-0.10613
11-3.7703-0.17646
12-2.7067-0.034917
13-5.3598-0.079295
14-4.4054-0.1198
15-5.1198-0.055139
16-4.4254-0.07965
17-5.3526-0.049954
18-2.6754-0.14351
19-4.4678-0.033806
20-2.2156-0.055949
21-3.0207-0.068328
22-4.3716-0.040954
23-4.2835-0.019997
24-4.9441-0.036682
25-3.6544-0.081344
26-4.1466-0.063052
27-3.3937-0.079233
28-5.1245-0.031881
29-4.7936-0.027817
30-5.5887-0.017058
31-6.44510.024392
32-5.61730.014549
33-5.23580.0031025
34-5.3863-0.1355
35-3.6455-1.476
36-4.0062-0.088731
37-1.8496-0.20244
38-1.8419-0.15882
39-5.90020.41734
40-3.9444-0.091672
41-5.7332-0.023466
42-5.28440.00015699
43-6.12070.15191
44-3.0660.03404
45-3.5381-0.06874
46-4.30080.099024
47-3.84040.41193
48-5.33240.10441
49-4.90350.09629
50-4.65190.056472
51-4.97580.073963
52-4.22480.11064
53-1.21090.054032
54-3.53390.18152
55-4.3878-0.10767
56-3.7199-0.48893
57-5.194-0.26345
58-2.9089-0.28317
59-4.9821-0.2779
60-3.4576-0.051208
61-3.29240.01495
62-2.6298-0.46093
63-4.9079-0.071351
64-2.9882-0.070797
65-4.4995-0.18281
66-4.9148-0.047193
67-5.57470.031769
68-2.2456-0.10834
69-0.31313-0.14608
70-5.33780.12153
71-3.7143-0.065823
72-3.3475-0.14001
73-3.6143-0.16752
74-5.60830.12674
75-5.8250.16919
76-5.44922.4642e-05
77-4.1767-0.12953
78-4.942-0.058082
79-5.3135-0.060548
80-4.0401-0.02873
81-5.4119-0.062229
82-4.967-0.037824
83-3.6196-0.08083
84-4.8425-0.039484
85-5.2109-0.1008
86-4.6773-0.15001
87-4.4041-0.14226
88-4.9713-0.20608
89-5.4244-0.27382
90-3.8161-0.16495
91-2.947-0.26798
92-2.8565-0.4426
93-3.2719-0.54641
94-4.5842-0.052029
95-6.54730.10563
96-6.35860.15515
97-6.42210.086431
98-6.3010.39995
99-6.31320.091639
100-6.1240.061755
101-6.17760.29345
102-4.47560.34598
103-5.2620.028106
104-4.6296-0.036672
105-4.21560.10185
106-7.3010.10273
107-4.4801-0.024959
108-6.86740.097137
109-5.92680.13001
110-4.5506-0.0046912
111-6.89950.21784
112-6.48270.012803
113-6.55930.10298
114-6.46510.069769
115-7.33260.10216
116-6.37980.062803
117-5.83420.39521
118-5.54240.047474
119-6.05380.44059
120-6.57330.10183
121-3.7067-0.091135
122-7.19230.082706
123-7.54030.10084
124-6.50630.031616
125-4.6725-0.0085225
126-6.55260.42323
127-3.9486-0.025001
128-4.6692-0.0099717
129-6.59450.037651
130-6.92660.32365
131-5.91590.078482
132-5.59240.59505
133-6.29840.037497
134-6.89630.3467
135-4.320.10515
136-5.75150.080868
137-5.50250.12295
138-3.23920.15988
139-6.66970.13343
140-5.70060.051878
141-3.50260.062688
142-5.89170.41559
143-5.56530.50717
144-2.7116-0.15437
145-6.1780.17063
146-5.446-0.013857
147-4.63240.081288
148-6.30510.52655
149-7.25080.097175
150-6.60340.11304
151-6.07220.43097
152-6.228-0.0091007
153-4.55230.68532
154-6.5890.14413
155-5.96330.10742
156-5.88570.055203
157-7.09940.17282
158-4.3197-0.038755
159-5.88570.098982
160-6.0786-0.015663
161-6.59420.11878
162-6.74710.31799
163-6.23880.23134
164-6.00280.17711
165-6.60940.11181
1667.1436-0.40523
1670.85348-0.24011
1680.089129-0.15302
1692.3577-0.12369
170-1.6811-0.024594
1713.1958-0.17261
1722.7201-0.114
1732.1886-0.27856
1741.25030.0091008
1751.812-0.0060414
1763.6609-0.051942
1773.2339-0.22999
1783.421-0.2612
1794.5236-0.12863
180-2.1786-0.030248
1812.5119-0.2346
1824.0103-0.26823
183-3.0685-0.074098
1848.7312-0.198
1856.3372-0.3419
1860.2695-0.20011
1872.4073-0.60597
1883.3517-0.39223
189-1.1273-0.0018806
1903.1278-0.090237
1915.519-0.14838
1922.8369-0.1271
1933.4483-0.16844
194-0.799050.013543
195-1.2955-0.096469
196-2.71440.086116
1971.8219-0.12193
1985.8973-0.35532
1995.488-0.43113
2001.6797-0.069218
2013.0062-0.095807
2022.9592-0.28818
2032.6369-0.13416
2043.3205-0.14754
2052.0745-0.13779
2060.89567-0.11002
2072.4805-0.1231
2081.9827-0.057777
2092.7563-0.16745
210-1.1867-0.042043
2110.65641-0.084043
2120.76093-0.010394
213-1.2055-0.0041321
2143.9478-0.1464
215-1.7188-0.068427
2164.3974-0.1271
217-0.95571-0.0018744
2180.4987-0.44014
2190.90117-0.05147
2201.642-0.095019
2211.22040.062654
2222.8228-0.111
2234.7653-0.3947
2243.0538-0.17413
225-3.1995-0.083355
2261.9335-0.14411
2272.9332-0.65917
228-3.0769-0.092722
229-0.79378-0.1047
2301.0293-0.089016
2315.2195-0.16251
2323.9803-0.42294
2334.2523-0.32414
2343.0384-0.1179
2351.1774-0.039756
2363.0355-0.16691
2372.2032-0.18103
2383.3144-0.20048
2393.5643-0.13887
2403.0963-0.095727
2413.5287-0.16673
2422.5817-0.22889
2430.77461-0.11382
2444.1134-0.27469
2450.27806-0.15776
2462.2065-0.45786
2470.6601-0.095467
2482.6845-0.057326
2491.6438-0.15416
2503.227-0.16336
2514.3241-0.22286
252-2.571-0.019509
253-0.30467-0.11307
2540.66629-0.18554
2551.0045-0.071976
2562.2795-0.031026
257-0.54664-0.10004
2582.3638-0.098509
2594.0864-0.18793
260-4.3139-0.02868
2612.2467-0.18143
2622.9141-0.055743
263-0.26227-0.048029
264-3.0167-0.048216
2654.1872-0.30826
2661.0518-0.095517
2670.1277-0.076055
2683.7422-0.12712
269-3.6379-0.024953
2702.2775-0.010597
2710.26904-0.20498
2723.1408-0.18488
273-0.68361-0.090239
2742.4656-0.17531
2753.2037-0.35555
2763.5546-0.13335
2773.9397-0.047124
2785.8673-0.17987
279-0.90672-0.049595
2800.7657-0.11751
2814.0199-0.35378
2820.421370.048925
283-0.27624-0.11414
2842.055-0.12161
2853.0231-0.037227
2862.6304-0.41317
2871.8059-0.12824
2883.9046-0.20334
2894.3781-0.12448
2902.8656-0.18085
2913.2169-0.142
2921.2204-0.15753
2933.1059-0.19768
2941.0107-0.18177
2952.9504-0.43464
2962-0.23327
2972.1864-0.06981
2983.8222-0.11157
299-2.06950.031013
3002.5896-0.14155
3012.45190.23719
3023.2464-0.21203
3036.6983-0.17335
3041.4084-0.10785
305-0.48132-0.16104
3063.4889-0.10092
3073.3555-0.16351
3084.3928-0.15877
3092.6201-0.16805
3103.1488-0.15028
3113.0307-0.13778
3123.5798-0.14673
313-0.6057-0.084088
3143.3107-0.14662
315-1.8943-0.092487
3160.70132-0.12102
3172.7012-0.19865
318-0.07186-0.15418
3191.1522-0.09726
3200.79787-0.10468
3213.4267-0.069095
3220.60526-0.097739
3233.2381-0.15442
3242.6013-0.36727
3253.8363-0.22025
3260.25391-0.074873
3273.802-0.16684
3282.015-0.11391
3291.9132-0.034664
3302.2277-0.050542
3312.52610.41681
3325.3478-0.33435
3331.48850.034351
3341.249-0.018517
3350.31596-0.11951
3364.3753-0.10488
3371.883-0.12532
338-0.5129-0.086119
3391.3921-0.090114
3403.2262-0.24018
3413.0957-0.12546
3420.38423-0.10134
3431.9257-0.15352
3441.7144-0.23267
3451.9692-0.15081
3460.74765-0.31773
3470.0109230.045418
3485.8965-0.07561
349-0.400750.057735
3501.58020.27866
3516.2647-0.053249
3523.18541.6187
3537.40080.039635
3549.4197-0.21022
3556.29581.3337
3567.02020.5466
3578.5214-0.15855
3588.7671-0.14177
3596.10270.21291
3602.45520.051446
3618.8965-0.19257
3628.1497-0.13572
3637.95950.21637
3648.0144-0.10623
3656.22851.4978
3667.6796-0.42103
367-0.918320.013423
3686.8336-0.16299
3690.756630.065002
37010.399-0.1968
3717.55641.178
3725.6496-0.1154
3734.60711.3992
3747.619-0.046976
3755.8038-0.22068
376-1.3975-0.012675
377-2.1273-0.012095
3787.31-0.24616
37910.192-0.14996
3804.07491.8219
3817.0331-0.095439
3829.6421-0.1974
3838.3557-0.25685
3844.26192.3721
3858.26470.030675
3867.05822.2866
3878.1261-0.23374
3884.52141.7746
3898.30570.043767
3905.1206-0.045484
3913.60890.14859
3927.82710.10509
3936.41020.12274
3947.4276-0.059574
3957.75850.11544
3965.38851.4329
3975.23731.3155
39810.173-0.077723
3999.37730.18687
4008.1056-0.30952
4014.4048-0.054547
4026.5511.9511
4033.47470.046854
4048.5439-0.066453
4056.26351.5877
4065.95421.2912
4076.21540.096831
4087.86670.055169
4098.8697-0.13736
4104.46590.64839
4119.9132-0.19672
4125.21960.014613
41312.191-0.29617
4148.731-0.047608
4154.24211.613
4166.28980.63097
4174.21590.15906
4187.4141-0.028325
4197.7503-0.33741

PCA explained variance — how many dimensions?

Each bar reports the share of spectral variance explained by a component. Concentration in the first components indicates correlated wavelengths. This is not variance explained in the prediction target. This projection may use a different observation sample from the score plot.

PCA explained variance0%25%50%75%100%PC1: 99.3% (cumulative 99.3%)1PC2: 0.6% (cumulative 99.9%)2PC3: 0.1% (cumulative 100.0%)3PC4: 0.0% (cumulative 100.0%)4PC5: 0.0% (cumulative 100.0%)5PC6: 0.0% (cumulative 100.0%)6PC7: 0.0% (cumulative 100.0%)7PC8: 0.0% (cumulative 100.0%)8PC9: 0.0% (cumulative 100.0%)9PC10: 0.0% (cumulative 100.0%)10cumulative explained variancePC variancecumulativeprincipal component · cumulative (dashed)
View explained variance values
Variance per displayed principal component
ComponentSpectral variance
PC199.26%
PC20.63%
PC30.06%
PC40.02%
PC50.01%
PC60.01%
PC70.00%
PC80.00%
PC90.00%
PC100.00%

Metric interpretation reference

Definitions, formulas and possible explanations for the reported values. A possible cause requires verification against acquisition records. Reading guide

Metric catalog 30

Look up each measured quantity, its calculation and the heuristic alert mapping before interpreting a high or low value.

FamilyMetricWhat it measuresHigher values suggestLower values suggestPossible causesCalculation / score
Data integrityInvalid/masked cell count (owner report)Null or masked cells in the evaluated populationTo investigateComplete according to the declared maskMissing data or validity mask; not evidence of an acquisition causeNative Preflight count of cells unavailable under x/null and valid_mask; denominator stays in native_metric.denominators.n_cells. Not legacy NaN ratio.
Data integrityNaN ratioMissing dataCorrupted spectrumFull spectrumAcquisition/export errorcount(isnan(X)) / X.sizealert = min(1, nan_ratio / 0.05)
Data integrityInf countInfinite valuesCorruptionNormalInvalid calculationscount(isinf(X))alert = min(1, inf_count / 1)
Data integrityZero ratioNull columns or cellsTruncated spectrumNormalExport, saturationcount(X == 0) / count(finite X)alert = min(1, zero_ratio / 0.05)
Overall amplitudeMean reflectanceAverage levelToo light / background visibleToo darkBackground, geometrymean(X finite)alert reuses baseline/shape drift because absolute reflectance ranges are technology-dependent
Overall amplitudeArea under curveOverall intensityIllumination differenceNormalProbe distancetrapezoid(mean_spectrum, spectral_axis)alert reuses baseline/shape drift because area scale depends on axis and units
Overall amplitudePeak-to-peak (PTP)Dynamic rangeStrong variabilityFlat spectrumSaturationmax(mean_spectrum) - min(mean_spectrum)alert increases when dynamic range is abnormally flat
Overall amplitudeVarianceSpectral variabilityNormal or heterogeneousFlat spectrumBad contactvar(X finite)alert increases when variance/dynamic range is abnormally flat
NoiseRoughness sigma proxyHigh frequency noiseNoisyStableLamp, detectormedian MAD(second derivative) * 1.4826 / sqrt(6)alert = noise_rms / signal_scale, saturated at 5%
NoiseRoughness S/N proxySignal qualityGood signalBad signalAcquisitionmean(abs(X)) / noise_rmsalert decreases with SNR dB; >=40 dB is treated as low alert
NoiseBandwise roughness S/N proxyLocalized noiseReliable zoneProblem areaDetectormin(abs(mean_spectrum) / local second-derivative noise)alert decreases with worst-band SNR dB; >=35 dB is treated as low alert
Local artifactsSpike countNarrow peaksArtifactsClean spectrumCosmic rays, splicecount robust outliers in second derivativealert follows spike_rate, saturated at 1%
Local artifactsSpike ratePeak densitySuspicious spectrumNormalInterpolationspike_count / (n_samples * (n_features - 2))alert = min(1, spike_rate / 0.01)
Local artifactsJump countDiscontinuitiesDetector connectionContinuousSplicecount robust outliers in first derivativealert follows jump_rate, saturated at 1%
Local artifactsJump rateJump frequencySpectral problemNormalCalibrationjump_count / (n_samples * (n_features - 1))alert = min(1, jump_rate / 0.01)
Local artifactsClip fractionSaturationClippingNormalDetector saturatedfraction of finite cells equal to repeated min/max extremaalert = min(1, clip_fraction / 0.01)
Spectral formBaseline slopeOverall slopeDriftStableIlluminationlinear slope of mean_spectrum over normalized axisalert = abs(slope / signal_scale), saturated at 0.5
Spectral formCurvature RMSCurvatureUnusual shapeSmoothBackground, splicemedian RMS(second derivative per spectrum)alert = curvature_rms / signal_scale, saturated at 1%
Spectral formD1 RMSLocal variabilityStructured spectrumFlatBiology or artifactmedian RMS(first derivative per spectrum)alert = d1_rms / signal_scale, saturated at 5%
Multivariate outliersPCA Q (SPE)Not explained by PCAAtypical spectrumCompliantArtifact, mixturep95(Q/SPE residual) / median(Q/SPE residual)alert = min(1, pca_q_ratio / 8)
Multivariate outliersHotelling T²Extreme in PCAExtreme but consistentCentralNatural variabilityp95(Hotelling T2) / median(Hotelling T2)alert = min(1, hotelling_t2_ratio / 8)
Multivariate outliersMahalanobis HDistance to cloudGlobal outlierNormal populationDifferent domainp95(sqrt(T2)) / median(sqrt(T2))alert = min(1, mahalanobis_h_ratio / 4)
Comparison to average spectrumRMS to mean spectrumAverage distanceDifferent spectrumTypicalDomain shiftp95 RMS distance to dataset mean spectrumalert = RMS_p95 / signal_scale, saturated at 25%
Comparison to average spectrumSpectral Angle Mapper (SAM)Difference in shapeDifferent shapeSimilarBackground, geometryp95 spectral angle to dataset mean spectrumalert = min(1, SAM_p95 / 0.35 rad)
RepeatabilityRMS intra-IDReproducibilityPoor repeatabilityStablePositioningmedian RMS distance to repeated-sample centroidalert = RMS_intra_ID / signal_scale, saturated at 10%
RepeatabilitySAM intra-IDShape variationUnstableStableAcquisitionmedian SAM to repeated-sample centroidalert = min(1, SAM_intra_ID / 0.15 rad)
RepeatabilityCV intra-IDInternal variabilityBad controlStableOperatormedian within-ID band CValert = min(1, CV_intra_ID / 0.25)
Structure of the datasetPCA score densityClustersSubpopulationsHomogeneousDifferent batches1 / median kNN distance in PCA score spacealert follows density_cv/profile structure complexity, not raw density alone
Structure of the datasetkNN distance ratio (not LOF)Local anomalyIsolated spectrumNormal populationRare casesp95(mean kNN distance / median population mean kNN distance) in PCA-score space; not LOFalert = min(1, max(0, kNN_distance_ratio_p95 - 1) / 2)
Structure of the datasetIsolation Forest scoreGlobal anomalyAtypical spectrumNormalVarious causesp95 IsolationForest anomaly score on PCA scoresalert follows structure complexity; raw score is implementation-dependent
Technology-specific extensions

Find measurement-specific checks and acquisition context that can help interpret a source's spectral patterns.

TechnologyAdaptations / metricsTarget anomaliesPractical guidance
UV-Vis 300-1000 nmBaseline, overall slope, drift at edges 300-350 and 900-1000; metrics by zonesStray light, bad white, saturation, weak signal at the endsThe edges are often unstable; also calculate edge/middle scores.
UV-Vis 300-1000 nmSaturation / clipping near max absorbance or max reflectanceSignal clippedVery important if strong absorption.
UV-Vis 300-1000 nmRed-edge, peak position, band ratios for vegetationBiological shift or optical artifactHelps distinguish real change from acquisition problem.
UV-Vis 300-1000 nmSmoothness / roughness indexHigh frequency noiseOften more informative than the SNR alone.
MIR / ATR-FTIRATR contact quality index: overall intensity, total area, depth of key bandsPoor crystal-sample contactCrucial: many anomalies come from the ATR contact.
MIR / ATR-FTIRCO2 / H2O atmospheric bandsBad atmospheric correctionFrequent spurious peaks.
MIR / ATR-FTIRBaseline curvature / rubber-band residualDiffusion, contact, baseline driftVery useful before PCA.
MIR / ATR-FTIRPeak position shiftBad spectral alignment/calibrationImportant in FTIR because small shifts count.
MIR / ATR-FTIRBand area ratios on known bandsChemically incoherent spectrumTo be adapted by matrix: polysaccharides, proteins, lipids, etc.
HS-MSTotal Ion Current (TIC), Base Peak Intensity (BPI)Weak injection, unstable ionizationMS equivalent of the global spectral level.
HS-MSNumber of peaks detectedPoor or too noisy spectrumToo little = bad signal; too much = noise/contamination.
HS-MSMass accuracy / m/z driftMass calibration problemFundamental in HRMS.
HS-MSRetention time drift if LC/GC-MSChromatographic driftMonitor on standards/QC pools.
HS-MSBlank contamination scoreContaminants / carry-overCompare samples vs blanks.
HS-MSInternal standard CVInstrumental variabilityVery robust if standards available.
HS-MSMissingness by featureDetection instabilityCrucial for filtering variables.
With repetitionsIntra-sample RMSOverall repeatabilityApplicable to all technologies.
With repetitionsSAM / intra-sample correlationShape repeatabilityVery useful for spectra.
With repetitionsIntra-sample CV per band / featureLocal repeatabilityDetects unstable areas.
With repetitionsICC or variance componentsShare of sample vs. technical varianceVery useful if several repetitions per sample.
With repetitionsDistance to intra-ID centroidAberrant repetitionAllows you to flag the bad repetition rather than the entire sample.
Bug-hunting / supervised audits

Review suggested follow-up methods for suspected data issues and whether their results are available in this explorer.

Potential issue familySuggested methodsWhat it detectsExplorer availability
Global spectral shiftInter-dataset average spectrum correlation, DTW, cross-correlation, comparison of peak positionsWavelength shift, misalignment, different interpolationPartially calculated: cross-correlation lag and dispersion of peak positions vs. average spectrum.
Baseline / offset / gainRegression each spectrum vs average spectrum: x = a + b ref + residual; followed by a, b, residual RMSAdditive offset, multiplicative effect, baseline driftCalculated in reference.affine_*.
Row mixing / X-M-Y mismatchIndex check, row hash, ID duplication, intra-ID spectral distance, inconsistent labelsMixed up rows, misaligned metadata, Y assigned to wrong spectrumPartially covered by intra-ID repeatability; checks index/hash to add to the canonical pipeline.
Information leak / poorly split repetitionsGroupKFold by sample_id vs StratifiedKFold random; auditing partitions by sample_idArtificially good performance due to repetitionsRequires splits and benchmark model; not calculated by the descriptive card.
Label bugsClose samples in X but different Y, confident learning, systematic FP/FN errorsInverted Y, input errors, ambiguous classesRequires Y and/or model; recommended for supervised explorer.
Hidden subdomainsPCA/UMAP/t-SNE + unsupervised clustering + association with dataset/Y/date/operatorBatches, campaigns, probes, backgrounds not providedPartially calculated by PCA and distance ratio kNN (not LOF); UMAP/t-SNE outside the static card.
Unknown localized artifactsWavelength x dataset map: mean difference, variance difference, KS per wavelengthUnanticipated anomalous spectral regionsTo be calculated at the bank level when several datasets share a spectral axis.
Instrumental breaksDiscontinuities in derivatives, changepoint detectionSplice, detector connection, local jump not providedCalculated by jump/spike rates; more advanced changepoint to add.
Spectral mixing/contaminationNMF / unmixing / reconstruction by convex hullExternal component: background, plastic, soilNot calculated automatically; requires component assumptions or large library.
Unstable but predictive featuresModel importance vs. QC instability by variableModel that learns an artifact rather than a biological signalRequires supervised model; recommended for benchmark reporting.

Curated scientific variables

Scientific roles derived from the source contract. M denotes experimental metadata; Y denotes informative response variables. Reading guide

2 experimental metadata fields (M) · 4 informative targets (Y).

VariableRoleDistinct valuesCompleteRange / balance
instrumentM5100%IR 1.258
instrument_codeM5100%IR 1.258
componentY8690.96%IR 271
salt_formY426.76%IR 53.12
matrixY490.96%IR 487.3
colorY1790.76%IR 377

Identifiers and sampling groups remain available separately. Statistics count exported observations.

Variables

Declared prediction targets and recorded metadata, with distributions and missing-value counts. Identifiers are not automatically prediction targets. Reading guide

Targets 5

component

target · categorical

Compare recorded category counts and class balance. Bar lengths show observations in each displayed category.

component classescocainecocaine: 542542MDMAMDMA: 4294292C-B2C-B: 109109FAFA: 5050ketamineketamine: 4646FMAFMA: 4040amphetamineamphetamine: 3838no drugno drug: 28284-FA4-FA: 23232Br45DMPEA2Br45DMPEA: 2020+10 more+10 more: 145145
n / missing
?Recorded observation count and number of missing values for this variable.
2,003 / 181
Classes
?Number of distinct recorded category values.
86
Balance (entropy)
?Normalized Shannon entropy, from 0 for one dominant class to 1 for equal class frequencies.
0.65
Imbalance ratio
?Largest class count divided by smallest class count; 1 indicates equal counts.
271
Top class
?Most frequent recorded category and its observation count.
cocaine (542)

set

target · categorical

Compare recorded category counts and class balance. Bar lengths show observations in each displayed category.

set classesPAMPAM: 419419TT: 357357PP: 355355KK: 297297NN: 191191DD: 138138CC: 6565
n / missing
?Recorded observation count and number of missing values for this variable.
2,003 / 181
Classes
?Number of distinct recorded category values.
7
Balance (entropy)
?Normalized Shannon entropy, from 0 for one dominant class to 1 for equal class frequencies.
0.94
Imbalance ratio
?Largest class count divided by smallest class count; 1 indicates equal counts.
6
Top class
?Most frequent recorded category and its observation count.
PAM (419)

salt_form

target · categorical

Compare recorded category counts and class balance. Bar lengths show observations in each displayed category.

salt_form classesHClHCl: 425425basebase: 9393NaNa: 1010sulphatesulphate: 88
n / missing
?Recorded observation count and number of missing values for this variable.
2,003 / 1,467
Classes
?Number of distinct recorded category values.
4
Balance (entropy)
?Normalized Shannon entropy, from 0 for one dominant class to 1 for equal class frequencies.
0.45
Imbalance ratio
?Largest class count divided by smallest class count; 1 indicates equal counts.
5e+01
Top class
?Most frequent recorded category and its observation count.
HCl (425)

matrix

target · categorical

Compare recorded category counts and class balance. Bar lengths show observations in each displayed category.

matrix classespowderpowder: 1,4621,462tablet in plastic bagtablet in plastic bag: 353353powder in plastic bagpowder in plastic bag: 44liquidliquid: 33
n / missing
?Recorded observation count and number of missing values for this variable.
2,003 / 181
Classes
?Number of distinct recorded category values.
4
Balance (entropy)
?Normalized Shannon entropy, from 0 for one dominant class to 1 for equal class frequencies.
0.37
Imbalance ratio
?Largest class count divided by smallest class count; 1 indicates equal counts.
5e+02
Top class
?Most frequent recorded category and its observation count.
powder (1,462)

color

target · categorical

Compare recorded category counts and class balance. Bar lengths show observations in each displayed category.

color classeswhitewhite: 1,1311,131pinkpink: 169169greengreen: 100100orangeorange: 8080yellowyellow: 6969greygrey: 6060blueblue: 4040purplepurple: 3030beigebeige: 3030redred: 3030+7 more+7 more: 7979
n / missing
?Recorded observation count and number of missing values for this variable.
2,003 / 185
Classes
?Number of distinct recorded category values.
17
Balance (entropy)
?Normalized Shannon entropy, from 0 for one dominant class to 1 for equal class frequencies.
0.55
Imbalance ratio
?Largest class count divided by smallest class count; 1 indicates equal counts.
377
Top class
?Most frequent recorded category and its observation count.
white (1,131)

Metadata 9

instrument

metadata · categorical

Compare recorded category counts and class balance. Bar lengths show observations in each displayed category.

instrument classesNeoSpectraNeoSpectra: 429429Viavi MicroNIRViavi MicroNIR: 424424Consumer Physics SCiOConsumer Physics SCiO: 419419ASD FieldSpecASD FieldSpec: 390390NIRONENIRONE: 341341
n / missing
?Recorded observation count and number of missing values for this variable.
2,003 / 0
Classes
?Number of distinct recorded category values.
5
Balance (entropy)
?Normalized Shannon entropy, from 0 for one dominant class to 1 for equal class frequencies.
1
Imbalance ratio
?Largest class count divided by smallest class count; 1 indicates equal counts.
1
Top class
?Most frequent recorded category and its observation count.
NeoSpectra (429)

instrument_code

metadata · categorical

Compare recorded category counts and class balance. Bar lengths show observations in each displayed category.

instrument_code classesNeoSpectraNeoSpectra: 429429MicroNIRMicroNIR: 424424ScioScio: 419419ASDASD: 390390NIRONENIRONE: 341341
n / missing
?Recorded observation count and number of missing values for this variable.
2,003 / 0
Classes
?Number of distinct recorded category values.
5
Balance (entropy)
?Normalized Shannon entropy, from 0 for one dominant class to 1 for equal class frequencies.
1
Imbalance ratio
?Largest class count divided by smallest class count; 1 indicates equal counts.
1
Top class
?Most frequent recorded category and its observation count.
NeoSpectra (429)

source_set_from_file

metadata · categorical

Compare recorded category counts and class balance. Bar lengths show observations in each displayed category.

source_set_from_file classesPAMPAM: 599599NCDNCD: 394394TT: 358358PP: 355355KK: 297297
n / missing
?Recorded observation count and number of missing values for this variable.
2,003 / 0
Classes
?Number of distinct recorded category values.
5
Balance (entropy)
?Normalized Shannon entropy, from 0 for one dominant class to 1 for equal class frequencies.
0.98
Imbalance ratio
?Largest class count divided by smallest class count; 1 indicates equal counts.
2
Top class
?Most frequent recorded category and its observation count.
PAM (599)

axis_min

metadata · numeric

Read the recorded value distribution and summary statistics; no measurement unit is recorded.

axis_min distribution0200400600350 – 400: 390400 – 450: 0450 – 500: 0500 – 550: 0550 – 600: 0600 – 650: 0650 – 700: 0700 – 750: 419750 – 800: 0800 – 850: 0850 – 900: 0900 – 950: 424950 – 1,000: 01,000 – 1,050: 01,050 – 1,100: 01,100 – 1,150: 01,150 – 1,200: 01,200 – 1,250: 01,250 – 1,300: 4291,300 – 1,350: 01,350 – 1,400: 01,400 – 1,450: 01,450 – 1,500: 01,500 – 1,550: 34105001,0001,5002,000
n / missing
?Recorded observation count and number of missing values for this variable.
2,003 / 0
Mean ± SD
?Arithmetic mean and standard deviation in the variable's stated unit.
957.4 ± 409
Median
?50th percentile: half the non-missing values lie at or below it.
908.1
Range
?Smallest and largest recorded non-missing values.
350 – 1,550
CV
?Coefficient of variation: standard deviation divided by absolute mean; unstable when the mean is near zero.
0.427
Skew / kurtosis
?Distribution asymmetry and excess kurtosis. A Gaussian distribution has skewness 0 and excess kurtosis 0.
-0.026 / -1.2
Normal?
?Descriptive normality-test result. A non-normal target is not automatically a defective variable.
no

axis_max

metadata · numeric

Read the recorded value distribution and summary statistics; no measurement unit is recorded.

axis_max distribution02004006001,070 – 1134: 4191134 – 1198: 01198 – 1262: 01262 – 1326: 01326 – 1390: 01390 – 1454: 01454 – 1517: 01517 – 1581: 01581 – 1645: 01645 – 1709: 4241709 – 1773: 01773 – 1837: 01837 – 1901: 01901 – 1965: 3411965 – 2029: 02029 – 2093: 02093 – 2157: 02157 – 2221: 02221 – 2284: 02284 – 2348: 02348 – 2412: 02412 – 2476: 02476 – 2540: 3902540 – 2604: 4291,0002,0005,00010,000
n / missing
?Recorded observation count and number of missing values for this variable.
2,003 / 0
Mean ± SD
?Arithmetic mean and standard deviation in the variable's stated unit.
1955 ± 573
Median
?50th percentile: half the non-missing values lie at or below it.
1,950
Range
?Smallest and largest recorded non-missing values.
1,070 – 2604
CV
?Coefficient of variation: standard deviation divided by absolute mean; unstable when the mean is near zero.
0.293
Skew / kurtosis
?Distribution asymmetry and excess kurtosis. A Gaussian distribution has skewness 0 and excess kurtosis 0.
-0.32 / -1.3
Normal?
?Descriptive normality-test result. A non-normal target is not automatically a defective variable.
no

n_points_original

metadata · numeric

Read the recorded value distribution and summary statistics; no measurement unit is recorded.

n_points_original distribution05001,0001,500125 – 209.4: 1194209.4 – 293.8: 0293.8 – 378.2: 419378.2 – 462.7: 0462.7 – 547.1: 0547.1 – 631.5: 0631.5 – 715.9: 0715.9 – 800.3: 0800.3 – 884.8: 0884.8 – 969.2: 0969.2 – 1054: 01054 – 1,138: 01,138 – 1222: 01222 – 1307: 01307 – 1391: 01391 – 1476: 01476 – 1560: 01560 – 1644: 01644 – 1729: 01729 – 1813: 01813 – 1898: 01898 – 1982: 01982 – 2067: 02067 – 2,151: 39001,0002,0003,000
n / missing
?Recorded observation count and number of missing values for this variable.
2,003 / 0
Mean ± SD
?Arithmetic mean and standard deviation in the variable's stated unit.
583 ± 775
Median
?50th percentile: half the non-missing values lie at or below it.
201
Range
?Smallest and largest recorded non-missing values.
125 – 2,151
CV
?Coefficient of variation: standard deviation divided by absolute mean; unstable when the mean is near zero.
1.33
Skew / kurtosis
?Distribution asymmetry and excess kurtosis. A Gaussian distribution has skewness 0 and excess kurtosis 0.
1.5 / 0.34
Normal?
?Descriptive normality-test result. A non-normal target is not automatically a defective variable.
no

signal_type

metadata · categorical

Compare recorded category counts and class balance. Bar lengths show observations in each displayed category.

signal_type classesabsorbanceabsorbance: 1,5841,584raw spectral dataraw spectral data: 419419
n / missing
?Recorded observation count and number of missing values for this variable.
2,003 / 0
Classes
?Number of distinct recorded category values.
2
Balance (entropy)
?Normalized Shannon entropy, from 0 for one dominant class to 1 for equal class frequencies.
0.74
Imbalance ratio
?Largest class count divided by smallest class count; 1 indicates equal counts.
4
Top class
?Most frequent recorded category and its observation count.
absorbance (1,584)

nr

metadata · numeric

Read the recorded value distribution and summary statistics; no measurement unit is recorded.

nr distribution01002003000 – 8.333: 2328.333 – 16.67: 21816.67 – 25: 19625 – 33.33: 21833.33 – 41.67: 16041.67 – 50: 4850 – 58.33: 5158.33 – 66.67: 5666.67 – 75: 4575 – 83.33: 6083.33 – 91.67: 4491.67 – 100: 24100 – 108.3: 110108.3 – 116.7: 116116.7 – 125: 98125 – 133.3: 86133.3 – 141.7: 7141.7 – 150: 8150 – 158.3: 8158.3 – 166.7: 7166.7 – 175: 7175 – 183.3: 8183.3 – 191.7: 7191.7 – 200: 8050100150200
n / missing
?Recorded observation count and number of missing values for this variable.
2,003 / 181
Mean ± SD
?Arithmetic mean and standard deviation in the variable's stated unit.
54.87 ± 46.3
Median
?50th percentile: half the non-missing values lie at or below it.
36
Range
?Smallest and largest recorded non-missing values.
0 – 200
CV
?Coefficient of variation: standard deviation divided by absolute mean; unstable when the mean is near zero.
0.843
Skew / kurtosis
?Distribution asymmetry and excess kurtosis. A Gaussian distribution has skewness 0 and excess kurtosis 0.
0.75 / -0.55
Normal?
?Descriptive normality-test result. A non-normal target is not automatically a defective variable.
no

other

metadata · categorical

Compare recorded category counts and class balance. Bar lengths show observations in each displayed category.

other classeslevamisolelevamisole: 4747Red Bull logoRed Bull logo: 4040Cornetto logoCornetto logo: 4040Duplo logoDuplo logo: 4040Mojo-jojoMojo-jojo: 4040Philipp Plein logoPhilipp Plein logo: 3030heart shapeheart shape: 3030Donald TrumpDonald Trump: 3030Maserati logoMaserati logo: 3030Tesla logoTesla logo: 3030+10 more+10 more: 208208
n / missing
?Recorded observation count and number of missing values for this variable.
2,003 / 909
Classes
?Number of distinct recorded category values.
128
Balance (entropy)
?Normalized Shannon entropy, from 0 for one dominant class to 1 for equal class frequencies.
0.91
Imbalance ratio
?Largest class count divided by smallest class count; 1 indicates equal counts.
47
Top class
?Most frequent recorded category and its observation count.
levamisole (47)
Constant metadata 15

Fields with one recorded value provide context for every observation; they have no distribution to compare.

  • api_urlhttps://api.figshare.com/v2/articles/21252300
  • download_urlhttps://ndownloader.figshare.com/files/37664664
  • article_urlhttps://www.sciencedirect.com/science/article/pii/S2352340922008654
  • doi_dataset10.21942/uva.21252300.v2
  • doi_publication10.1016/j.dib.2022.108660
  • licenseCreative Commons Attribution 4.0 International
  • license_idcc-by-4.0
  • license_urlhttps://creativecommons.org/licenses/by/4.0/
  • rights_statusexplicit_open
  • usage_scopepublic_reuse_possible
  • public_release_allowedTrue
  • spectroscopy_typeNIR
  • axis_unitnm
  • decoderpandas.read_excel/openpyxl
  • notesAveraged-per-sample Excel files from Figshare ZIP, raw replicate files retained in ZIP but not exported in this standardized pass.

Alignment

How observations join to physical sample IDs. Multiple exported rows are not necessarily independent samples or technical repetitions. Reading guide

Alignment levelsample
Sample id availableyes
Samples599
Observations (total)2,003
Exported observations per unitmin 1 · mean 1 · max 1
Identity statusavailable
Documented technical repetitionsND
Source unitMultiplicity of the declared identifier; protocol not established

Splits

Partitions supplied by the original dataset. They are documented here and are not applied automatically when loading. Reading guide

No original partition summaries are recorded. Loading does not create a train/test split.

Load this dataset

Use the appropriate route below: an assembled dataset, original raw resources, or the documented access procedure. Reading guide

# pip install nirs4all-datasets
from nirs4all_datasets import get

ds = get("figshare_uva_illicit_drugs_avg_nir")            # DOI-pinned, checksum-verified, cached
X, y = ds.x(), ds.y()
print(X.shape, y.shape)
card.jsoncroissant.jsonIdentity metadata only — the dataset bytes live at the origin / DOI.

Read the documentation

Access and rights are separate

Start with provenance and governance at the top of a card. Provenance links to the original resources and publications. Governance records the license, redistribution conditions and content identity.

Open source access means an open original-source route is recorded. Restricted redistribution is the display label for the catalog's private tier: rights are restricted or not cleared for redistribution. It does not mean that the original source is necessarily private.

Raw reproducible identifies a retrieval route. Assembly incomplete means raw resources can be available while dataset-specific conversion is missing. The loading example uses retrieve(id, prepare=False) for these raw downloads; it returns resource metadata rather than X/Y arrays. A complete original-source recipe uses get(id). Two Harvard datasets require explicit guestbook answers.

Token required means no open automatic route is recorded. A Dataverse token works only once the canonical data have a configured hosted DOI. Manual access requires the original provider's documented steps. Availability labels describe the catalog routes, not a fresh live check of every URL.

Why is PCA on a dataset card?

Spectra have many correlated wavelengths. Principal component analysis (PCA) compresses their variation into a few orthogonal directions, called principal components (PCs). It is an exploratory summary of X, calculated without using the target Y.

The score plot places each plotted observation on PC1 and PC2. Nearby dots have similar projections; groups can reveal batches, instruments or natural subpopulations. Axis percentages show explained spectral variance. Large sources are sampled to at most 800 observations. Similar positions in two dimensions do not guarantee similar full spectra; an isolated dot does not prove an acquisition fault.

The scree plot reports spectral variance per component, helping you see whether variation is concentrated in a few dimensions. It is not explained target variance or predictive accuracy. The scree projection and score-plot projection may use different row samples; their percentages need not match.

Q / SPE measures residual variation outside the retained PCA subspace. Hotelling T² measures an observation's scaled distance within that subspace; Mahalanobis H summarizes PCA-space distance. The displayed p95/median ratios compare the distribution's upper tail with its center, without an absolute rejection threshold.

Historical profiles replace missing cells with column medians before PCA, center channels, and use bounded row/component counts. Loadings and distances depend on signal units and preprocessing. Compare compatible sources and inspect the original spectra before acting.

Scores, evidence and missing values

Read measured values first. An alert score maps selected metrics to a heuristic 0–1 scale. The display bands are weak below 0.42, medium from 0.42 to below 0.72, and strong from 0.72. They are not universally validated pass/fail thresholds.

The radar's center is 0 and its outer ring is 1: outward means a stronger anomaly or heterogeneity signal for that axis. Its table gives values rounded to two decimals and explains each axis. Missing axes are left blank; partial profiles have no filled polygon. The mean profile score averages only available axes and is not an overall quality grade.

Diagnostic bars rank possible explanations from heuristic signatures. A score of 0.78 does not mean a 78% causal probability. Evidence coverage is the proportion of required signals available, not confidence in the cause. A dash or “unavailable” means the quantity could not be computed; zero is an actual recorded value.

RMS (root mean square distance) and SAM (Spectral Angle Mapper, in radians) use this dataset's mean spectrum as their reference. They do not compare with an independently acquired white or dark reference. Repeated IDs require a documented protocol before within-ID spread can be called technical repeatability.

X–Y plots show Pearson correlation within this dataset. They identify linear associations; they are not cross-validated predictions and do not establish causal relationships. Targets, metadata, observation counts and physical sample counts have different meanings.

Open the full reading guide