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GitHub grapevine chloride NIR-S-G1 NIR

github · NIR

GitHub grapevine chloride NIR-S-G1 NIR. v2.0 standardized NIRS package: 1 spectral source(s), 4 declared target(s). Auto-generated from dataset_card.json (verify before publication).

nirv2github
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Private dataset. Full metadata and metrics are shown, but the bytes are not redistributed here — exporting the data requires a Dataverse token. The identity card carries no spectra, only descriptive statistics.
259
samples
—
wavelengths
1
sources
4
targets
18
metadata
NIR
family

Dataset property explorer

Mean profile risk0.55
Highest axisArtefacts locaux · 1.00
Diagnostics8
Sources profiled1
GitHub grapevine chloride NIR-S-G1 NIR property profile0.250.50.751integritynoiseartefactsbaselinePCA outliersreferencerepeatabilitystructureGitHub grapevine chloride NIR-S-G1 NIR profileintegrity: 0.00noise: 0.03artefacts: 1.00baseline: 1.00PCA outliers: 0.84reference: 0.54repeatability: 0.00structure: 1.00GitHub grapevin…0 center · 1 outer ring · outward = stronger anomaly / heterogeneity signal

Profile axes

Intégrité0.00
Artefacts locaux1.00
Bruit0.03
Outliers PCA0.84
Distance à la référence0.54
Répétabilité0.00
Baseline / forme1.00
Structure multi-régimes1.00
Diagnostic hypotheses00.250.50.751hypothesis scoreErreur calibration / référenc…Erreur calibration / référence blanche: 0.700.70Fond différentFond différent: 0.650.65Splice / raccord détecteursSplice / raccord détecteurs: 0.620.62Spectre hors domaine valideSpectre hors domaine valide: 0.590.59Différence de sonde / géométr…Différence de sonde / géométrie: 0.560.56Erreur interpolation / réécha…Erreur interpolation / rééchantillonnage: 0.540.54Signature VERA25-likeSignature VERA25-like: 0.540.54Dataset multi-régimesDataset multi-régimes: 0.520.52
DiagnosticScoreForceSignauxInterprétation probable
Erreur calibration / référence blancheX0.70moyenneBaseline/mean/area 1.00, artefacts locaux 1.00, Mahalanobis / T2 0.84Décalage systématique entre campagnes, instruments ou référence blanche.
Fond différentX0.65moyenneBaseline/mean/area 1.00, Mahalanobis / T2 0.84, RMS/SAM référence 0.54Effet systématique du support, blanc/noir, transflectance ou environnement de mesure.
Splice / raccord détecteursX0.62moyenneJump rate 1.00, SNR non dégradé 1.00, RMS/SAM référence 0.54Rupture aux jonctions de détecteurs, calibration locale ou sonde différente.
Spectre hors domaine valideX0.59moyenneStructure PCA 1.00, Mahalanobis / T2 0.84, RMS/SAM référence 0.54Variété, espèce, lot ou condition différente mais physiquement plausible.
Différence de sonde / géométrieX0.56moyenneBaseline/mean/area 1.00, Mahalanobis / T2 0.84, RMS/SAM référence 0.54Modification de l'illumination, collecte, angle ou distance sonde-échantillon.
Erreur interpolation / rééchantillonnageX0.54moyenneJump rate 1.00, SNR normal/élevé 1.00, Noise RMS faible 0.97Artefacts numériques ou traitement spectral incorrect.
Signature VERA25-likeX0.54moyenneJump rate 1.00, Mahalanobis / T2 0.84, RMS/SAM référence 0.54Combinaison possible changement de sonde + splice, amplifiée par géométrie, fond ou calibration.
Dataset multi-régimesX0.52moyenneStructure PCA 1.00, Mahalanobis / T2 0.84, RMS/SAM référence 0.54Mélange de campagnes, opérateurs, lots, setups ou sous-populations spectrales.

Spectral sources

X

X · NIR · NIR-S-G1
X spectra0.00.20.40.60.87501,0001,2501,5001,750q05-q95 envelopeq25-q75 envelopemedian spectrummedianq25–q75q05–q95wavelength / nm901nm — median 0.5817 (q25–q75 0.5545–0.6038)909nm — median 0.5819 (q25–q75 0.5557–0.6053)913nm — median 0.5812 (q25–q75 0.5545–0.6036)922nm — median 0.576 (q25–q75 0.5522–0.6005)930nm — median 0.5744 (q25–q75 0.5505–0.598)934nm — median 0.5741 (q25–q75 0.5498–0.599)941nm — median 0.576 (q25–q75 0.551–0.6)945nm — median 0.5761 (q25–q75 0.5508–0.5988)953nm — median 0.5749 (q25–q75 0.5484–0.5971)962nm — median 0.5735 (q25–q75 0.547–0.5944)966nm — median 0.572 (q25–q75 0.5461–0.5934)973nm — median 0.573 (q25–q75 0.5467–0.5935)981nm — median 0.573 (q25–q75 0.548–0.5949)985nm — median 0.5748 (q25–q75 0.5485–0.5948)993nm — median 0.5759 (q25–q75 0.5505–0.5973)996nm — median 0.5774 (q25–q75 0.551–0.5981)1,005nm — median 0.5797 (q25–q75 0.553–0.6012)1,013nm — median 0.5811 (q25–q75 0.554–0.6024)1,017nm — median 0.5825 (q25–q75 0.5554–0.6041)1,024nm — median 0.5853 (q25–q75 0.5575–0.6062)1,032nm — median 0.5864 (q25–q75 0.5587–0.6076)1,036nm — median 0.5872 (q25–q75 0.5599–0.6087)1,043nm — median 0.5882 (q25–q75 0.5612–0.6099)1,052nm — median 0.5892 (q25–q75 0.5619–0.6101)1,056nm — median 0.5894 (q25–q75 0.5625–0.611)1,063nm — median 0.5897 (q25–q75 0.5628–0.6108)1,067nm — median 0.5897 (q25–q75 0.5636–0.6118)1,074nm — median 0.5907 (q25–q75 0.5641–0.6119)1,082nm — median 0.5899 (q25–q75 0.5636–0.6116)1,085nm — median 0.5897 (q25–q75 0.5636–0.6117)1,094nm — median 0.5887 (q25–q75 0.5628–0.611)1,101nm — median 0.5888 (q25–q75 0.5621–0.6096)1,105nm — median 0.588 (q25–q75 0.5616–0.609)1,112nm — median 0.587 (q25–q75 0.5604–0.6082)1,120nm — median 0.585 (q25–q75 0.5591–0.606)1,123nm — median 0.5845 (q25–q75 0.5575–0.6054)1,132nm — median 0.5785 (q25–q75 0.5535–0.6001)1,136nm — median 0.5754 (q25–q75 0.5498–0.5961)1,143nm — median 0.5662 (q25–q75 0.5421–0.588)1,150nm — median 0.5574 (q25–q75 0.5339–0.5796)1,154nm — median 0.554 (q25–q75 0.5312–0.576)1,161nm — median 0.5518 (q25–q75 0.5286–0.5749)1,170nm — median 0.5514 (q25–q75 0.528–0.5727)1,173nm — median 0.5517 (q25–q75 0.5276–0.5733)1,180nm — median 0.5518 (q25–q75 0.5281–0.5731)1,184nm — median 0.5524 (q25–q75 0.5285–0.573)1,191nm — median 0.5519 (q25–q75 0.5282–0.5736)1,198nm — median 0.5537 (q25–q75 0.5301–0.5754)1,202nm — median 0.5542 (q25–q75 0.5305–0.5757)1,210nm — median 0.5562 (q25–q75 0.5329–0.5776)1,217nm — median 0.5578 (q25–q75 0.5347–0.5798)1,221nm — median 0.5589 (q25–q75 0.5356–0.5811)1,228nm — median 0.5602 (q25–q75 0.5368–0.583)1,235nm — median 0.5616 (q25–q75 0.5381–0.5838)1,239nm — median 0.5616 (q25–q75 0.5385–0.5841)1,247nm — median 0.5629 (q25–q75 0.5394–0.5852)1,250nm — median 0.5634 (q25–q75 0.5395–0.5857)1,257nm — median 0.5635 (q25–q75 0.5403–0.5859)1,264nm — median 0.5641 (q25–q75 0.541–0.5867)1,268nm — median 0.5647 (q25–q75 0.5411–0.5868)1,275nm — median 0.5637 (q25–q75 0.54–0.5863)1,282nm — median 0.5616 (q25–q75 0.5387–0.585)1,286nm — median 0.5607 (q25–q75 0.5375–0.5838)1,293nm — median 0.5583 (q25–q75 0.5351–0.5816)1,300nm — median 0.5552 (q25–q75 0.5324–0.5784)1,304nm — median 0.5529 (q25–q75 0.5301–0.576)1,311nm — median 0.548 (q25–q75 0.5253–0.5703)1,314nm — median 0.545 (q25–q75 0.5225–0.5676)1,321nm — median 0.5382 (q25–q75 0.5154–0.5602)1,329nm — median 0.5289 (q25–q75 0.5065–0.5506)1,332nm — median 0.5244 (q25–q75 0.5026–0.5459)1,339nm — median 0.5164 (q25–q75 0.4938–0.5364)1,346nm — median 0.5091 (q25–q75 0.4852–0.5283)1,349nm — median 0.5049 (q25–q75 0.4809–0.5246)1,356nm — median 0.4975 (q25–q75 0.4749–0.5175)1,359nm — median 0.4929 (q25–q75 0.471–0.514)1,367nm — median 0.4819 (q25–q75 0.4606–0.5021)1,374nm — median 0.464 (q25–q75 0.4429–0.484)1,377nm — median 0.4498 (q25–q75 0.4318–0.4706)1,384nm — median 0.4146 (q25–q75 0.3959–0.4364)1,391nm — median 0.3659 (q25–q75 0.3472–0.3894)1,394nm — median 0.3412 (q25–q75 0.3233–0.3638)1,402nm — median 0.289 (q25–q75 0.2695–0.311)1,409nm — median 0.2573 (q25–q75 0.2373–0.2786)1,412nm — median 0.2453 (q25–q75 0.2258–0.2666)1,419nm — median 0.2307 (q25–q75 0.2112–0.2515)1,422nm — median 0.2268 (q25–q75 0.2073–0.2464)1,428nm — median 0.221 (q25–q75 0.2023–0.2416)1,436nm — median 0.2189 (q25–q75 0.1998–0.2398)1,439nm — median 0.2199 (q25–q75 0.1995–0.2398)1,446nm — median 0.2206 (q25–q75 0.2006–0.2416)1,452nm — median 0.2228 (q25–q75 0.2033–0.2443)1,456nm — median 0.2243 (q25–q75 0.2048–0.2458)1,462nm — median 0.2298 (q25–q75 0.2093–0.2507)1,469nm — median 0.237 (q25–q75 0.2168–0.2588)1,473nm — median 0.2438 (q25–q75 0.2241–0.2657)1,479nm — median 0.2566 (q25–q75 0.2355–0.2775)1,483nm — median 0.2626 (q25–q75 0.2414–0.2839)1,489nm — median 0.2754 (q25–q75 0.2538–0.297)1,496nm — median 0.2874 (q25–q75 0.2659–0.31)1,499nm — median 0.2937 (q25–q75 0.2723–0.3158)1,505nm — median 0.3059 (q25–q75 0.2845–0.3291)1,513nm — median 0.3193 (q25–q75 0.2983–0.3434)1,516nm — median 0.3254 (q25–q75 0.3048–0.349)1,522nm — median 0.3381 (q25–q75 0.3164–0.3623)1,525nm — median 0.3434 (q25–q75 0.3219–0.3676)1,532nm — median 0.355 (q25–q75 0.3332–0.3785)1,538nm — median 0.3654 (q25–q75 0.3442–0.3884)1,542nm — median 0.3724 (q25–q75 0.3507–0.3939)1,548nm — median 0.3817 (q25–q75 0.3597–0.4029)1,555nm — median 0.3899 (q25–q75 0.3685–0.4114)1,558nm — median 0.3939 (q25–q75 0.3725–0.4158)1,564nm — median 0.4015 (q25–q75 0.3797–0.4237)1,570nm — median 0.4091 (q25–q75 0.3876–0.4307)1,573nm — median 0.4126 (q25–q75 0.391–0.4344)1,581nm — median 0.4197 (q25–q75 0.3985–0.4419)1,584nm — median 0.4228 (q25–q75 0.401–0.4448)1,590nm — median 0.4271 (q25–q75 0.4064–0.4497)1,596nm — median 0.4314 (q25–q75 0.411–0.4532)1,599nm — median 0.4325 (q25–q75 0.4124–0.4548)1,605nm — median 0.4344 (q25–q75 0.4142–0.4569)1,612nm — median 0.4371 (q25–q75 0.4164–0.4581)1,615nm — median 0.4377 (q25–q75 0.4169–0.4585)1,621nm — median 0.4392 (q25–q75 0.419–0.4609)1,627nm — median 0.4413 (q25–q75 0.4207–0.4621)1,630nm — median 0.4414 (q25–q75 0.4206–0.4628)1,636nm — median 0.4429 (q25–q75 0.4224–0.4644)1,639nm — median 0.4435 (q25–q75 0.4228–0.4656)1,646nm — median 0.443 (q25–q75 0.4234–0.4642)1,652nm — median 0.4443 (q25–q75 0.4238–0.4666)1,655nm — median 0.445 (q25–q75 0.424–0.4672)1,661nm — median 0.4439 (q25–q75 0.4242–0.4682)1,667nm — median 0.4483 (q25–q75 0.4257–0.4718)1,670nm — median 0.4521 (q25–q75 0.43–0.4771)1,677nm — median 0.4669 (q25–q75 0.4332–0.5026)1,680nm — median 0.4675 (q25–q75 0.4354–0.5181)1,686nm — median 0.4757 (q25–q75 0.4394–0.5436)1,692nm — median 0.478 (q25–q75 0.4436–0.5558)1,695nm — median 0.4795 (q25–q75 0.4436–0.5609)1,702nm — median 0.4739 (q25–q75 0.4385–0.5418)

Sampling

Wavelengths228
Axis range901–1,702 nm
Mean spacing3.53 nm
Gridirregular
Observations259

Signal & quality

Value range0.155 – 0.949
Mean range0.221 – 0.6
Mean level0.4812
Area390.6
PTP0.3791
Noise RMS0.00068302
SNR7e+02
SNR dB6e+01 dB
Dynamic range0.379
Smoothness0.002522
Saturated0.0%
X-outliers72

Integrity & artefacts

NaN ratio0.00%
Inf count0
Zero ratio0.00%
Spike count205
Spike rate0.35%
Jump count1,233
Jump rate2.10%
Clip fraction0.00%

Shape & reference

Baseline slope-0.27564
Curvature RMS0.0024704
D1 RMS0.005848
RMS to mean0.029733
RMS p950.064958
SAM to mean0.031211
SAM p950.065872
Affine offset p950.12655
Affine gain p95 Δ0.28033
Affine residual p950.020648
Xcorr lag p950

Outliers & repeatability

PCA Q p95/median4
Hotelling T2 p95/median6.8
Mahalanobis H p95/median2.6
Repeat groups0

Dimensionality (PCA)

Effective rank1.5
PCs → 95% var2
PCs → 99% var3
Top-10 cum. var100.0%
Computed metric scores 29worst 1.00
FamilleMétrique calculéeValeurScoreNiveauInterprétation datasetCauses typiquesCalcul / scoring
Intégrité des donnéesNaN ratiointegrity.nan_ratio0%0.00faibleSpectre completErreur acquisition/exportcount(isnan(X)) / X.sizealert = min(1, nan_ratio / 0.05)
Intégrité des donnéesInf countintegrity.inf_count00.00faibleNormalCalculs invalidescount(isinf(X))alert = min(1, inf_count / 1)
Intégrité des donnéesZero ratiointegrity.zero_ratio0%0.00faibleNormalExport, saturationcount(X == 0) / count(finite X)alert = min(1, zero_ratio / 0.05)
Amplitude globaleMean reflectanceamplitude.mean_reflectance0.48121.00fortValeur atypique: Trop clair / fond visible ou Trop sombreFond, géométriemean(X finite)alert reuses baseline/shape drift because absolute reflectance ranges are technology-dependent
Amplitude globaleArea under curveamplitude.area_under_curve390.631.00fortValeur atypique: Différence d'éclairement ou NormalDistance sondetrapezoid(mean_spectrum, spectral_axis)alert reuses baseline/shape drift because area scale depends on axis and units
Amplitude globalePeak-to-peak (PTP)amplitude.peak_to_peak0.379130.00faibleVariabilité forteSaturationmax(mean_spectrum) - min(mean_spectrum)alert increases when dynamic range is abnormally flat
Amplitude globaleVarianceamplitude.variance0.0173280.00faibleNormal ou hétérogèneMauvais contactvar(X finite)alert increases when variance/dynamic range is abnormally flat
BruitNoise RMSnoise.noise_rms0.000683020.03faibleStableLampe, détecteurmedian MAD(second derivative) * 1.4826 / sqrt(6)alert = noise_rms / signal_scale, saturated at 5%
BruitSNRnoise.snr704.520.00faibleBon signalAcquisitionmean(abs(X)) / noise_rmsalert decreases with SNR dB; >=40 dB is treated as low alert
BruitBandwise SNRnoise.bandwise_snr_min104.280.00faibleZone fiableDétecteurmin(abs(mean_spectrum) / local second-derivative noise)alert decreases with worst-band SNR dB; >=35 dB is treated as low alert
Artefacts locauxSpike countartefacts.spike_count2050.35faibleSpectre propreCosmic rays, splicecount robust outliers in second derivativealert follows spike_rate, saturated at 1%
Artefacts locauxSpike rateartefacts.spike_rate0.35%0.35faibleNormalInterpolationspike_count / (n_samples * (n_features - 2))alert = min(1, spike_rate / 0.01)
Artefacts locauxJump countartefacts.jump_count1,2331.00fortRaccord détecteurSplicecount robust outliers in first derivativealert follows jump_rate, saturated at 1%
Artefacts locauxJump rateartefacts.jump_rate2.1%1.00fortProblème spectralCalibrationjump_count / (n_samples * (n_features - 1))alert = min(1, jump_rate / 0.01)
Artefacts locauxClip fractionartefacts.clip_fraction0.00339%0.00faibleNormalDétecteur saturéfraction of finite cells equal to repeated min/max extremaalert = min(1, clip_fraction / 0.01)
Forme spectraleBaseline slopeshape.baseline_slope-0.275641.00fortDériveÉclairementlinear slope of mean_spectrum over normalized axisalert = abs(slope / signal_scale), saturated at 0.5
Forme spectraleCurvature RMSshape.curvature_rms0.00247040.51moyenForme inhabituelleFond, splicemedian RMS(second derivative per spectrum)alert = curvature_rms / signal_scale, saturated at 1%
Forme spectraleD1 RMSshape.d1_rms0.0058480.24faiblePlatBiologie ou artefactmedian RMS(first derivative per spectrum)alert = d1_rms / signal_scale, saturated at 5%
Outliers multivariésPCA Q (SPE)outliers.pca_q_ratio4.04610.51moyenSpectre atypiqueArtefact, mélangep95(Q/SPE residual) / median(Q/SPE residual)alert = min(1, pca_q_ratio / 8)
Outliers multivariésHotelling T²outliers.hotelling_t2_ratio6.75810.84fortExtrême mais cohérentVariabilité naturellep95(Hotelling T2) / median(Hotelling T2)alert = min(1, hotelling_t2_ratio / 8)
Outliers multivariésMahalanobis Houtliers.mahalanobis_h_ratio2.59960.65moyenOutlier globalDomaine différentp95(sqrt(T2)) / median(sqrt(T2))alert = min(1, mahalanobis_h_ratio / 4)
Comparaison à référenceRMS to mean spectrumreference.rms_to_mean_spectrum_p950.0649580.54moyenSpectre différentDomain shiftp95 RMS distance to dataset mean spectrumalert = RMS_p95 / signal_scale, saturated at 25%
Comparaison à référenceSpectral Angle Mapper (SAM)reference.sam_to_mean_spectrum_p950.0658720.19faibleSimilaireFond, géométriep95 spectral angle to dataset mean spectrumalert = min(1, SAM_p95 / 0.35 rad)
RépétabilitéRMS intra-IDrepeatability.rms_intra_id—0.00faibleStablePositionnementmedian RMS distance to repeated-sample centroidalert = RMS_intra_ID / signal_scale, saturated at 10%
RépétabilitéSAM intra-IDrepeatability.sam_intra_id—0.00faibleStableAcquisitionmedian SAM to repeated-sample centroidalert = min(1, SAM_intra_ID / 0.15 rad)
RépétabilitéCV intra-IDrepeatability.cv_intra_id—0.00faibleStableOpérateurmedian within-ID band CValert = min(1, CV_intra_ID / 0.25)
Structure du datasetPCA score densitystructure.pca_score_density13.4281.00fortSous-populationsLots différents1 / median kNN distance in PCA score spacealert follows density_cv/profile structure complexity, not raw density alone
Structure du datasetLocal Outlier Factor (LOF)structure.local_outlier_factor_p953.68791.00fortSpectre isoléCas raresp95 approximate LOF from PCA-score kNN distancesalert = min(1, max(0, LOF_p95 - 1) / 2)
Structure du datasetIsolation Forest scorestructure.isolation_forest_score_p950.60761.00fortSpectre atypiqueDiverses causesp95 IsolationForest anomaly score on PCA scoresalert follows structure complexity; raw score is implementation-dependent
X PCA score plot-2024-1.0-0.50.00.51.0PC1 0.01295 · PC2 -0.0984PC1 -0.1957 · PC2 -0.1069PC1 -0.1773 · PC2 -0.45PC1 -0.7454 · PC2 0.04309PC1 -0.4625 · PC2 0.2524PC1 -0.423 · PC2 -0.3052PC1 -0.3086 · PC2 0.1735PC1 -0.002852 · PC2 0.06595PC1 -0.3248 · PC2 0.168PC1 0.5663 · PC2 -0.05954PC1 -0.4887 · PC2 0.02563PC1 -0.447 · PC2 -0.002231PC1 0.5431 · PC2 -0.6029PC1 -0.06895 · PC2 -0.001635PC1 0.2417 · PC2 -0.2764PC1 -0.04522 · PC2 0.3064PC1 -0.09518 · PC2 -0.2329PC1 -0.02189 · PC2 0.07791PC1 -0.6483 · PC2 0.1762PC1 0.2738 · PC2 0.3146PC1 -0.7974 · PC2 0.04834PC1 -0.126 · PC2 -0.1971PC1 -1.108 · PC2 -0.3694PC1 -0.4993 · PC2 0.1643PC1 -0.3629 · PC2 -0.03132PC1 0.2326 · PC2 -0.07296PC1 0.4183 · PC2 0.03373PC1 -0.46 · PC2 0.1489PC1 0.2584 · PC2 -0.02458PC1 0.7678 · PC2 -0.117PC1 -0.09224 · PC2 0.1696PC1 -0.4717 · PC2 0.1471PC1 0.483 · PC2 -0.2048PC1 -0.353 · PC2 0.3031PC1 -0.06719 · PC2 -0.1207PC1 -0.1705 · PC2 0.2712PC1 -0.1673 · PC2 0.372PC1 -0.01797 · PC2 0.1795PC1 -0.05572 · PC2 0.2229PC1 -0.4396 · PC2 -0.1506PC1 -0.2737 · PC2 -0.4135PC1 -0.1655 · PC2 -0.1413PC1 0.6006 · PC2 -0.05964PC1 -0.3561 · PC2 0.2524PC1 0.6195 · PC2 -0.007944PC1 -0.3748 · PC2 -0.2498PC1 0.5945 · PC2 -0.06053PC1 -0.547 · PC2 -0.0372PC1 0.006741 · PC2 0.1015PC1 -0.2324 · PC2 -0.3033PC1 0.3065 · PC2 -0.4401PC1 -0.1112 · PC2 0.08927PC1 0.1033 · PC2 -0.05808PC1 0.8322 · PC2 -0.06121PC1 0.475 · PC2 -0.3112PC1 -0.6996 · PC2 -0.05314PC1 -0.708 · PC2 0.1507PC1 0.5255 · PC2 0.0263PC1 -0.6626 · PC2 0.02613PC1 -0.03626 · PC2 -0.05743PC1 -0.4205 · PC2 0.2151PC1 0.1236 · PC2 -0.3569PC1 -0.3366 · PC2 -0.1717PC1 -0.099 · PC2 -0.1255PC1 -0.03398 · PC2 -0.3007PC1 -0.4385 · PC2 0.04392PC1 0.0723 · PC2 0.1852PC1 -1.084 · PC2 0.3081PC1 0.06712 · PC2 -0.1816PC1 0.04096 · PC2 -0.1892PC1 0.1508 · PC2 -0.4507PC1 0.2948 · PC2 0.0587PC1 -0.3709 · PC2 0.08377PC1 0.621 · PC2 -0.0285PC1 0.282 · PC2 -0.3188PC1 -0.4685 · PC2 0.3191PC1 -0.4029 · PC2 0.00102PC1 -0.2587 · PC2 -0.04367PC1 -0.4511 · PC2 -0.126PC1 -0.5691 · PC2 0.2469PC1 0.1702 · PC2 -0.2551PC1 3.693 · PC2 0.03474PC1 -0.1024 · PC2 -0.1158PC1 -0.1453 · PC2 -0.2554PC1 0.5019 · PC2 -0.04692PC1 -0.5859 · PC2 0.1038PC1 -0.2446 · PC2 -0.3725PC1 -0.3649 · PC2 -0.2019PC1 -0.1472 · PC2 -0.2714PC1 -0.6582 · PC2 -0.02901PC1 -0.1959 · PC2 -0.3763PC1 0.1348 · PC2 -0.07913PC1 0.2748 · PC2 0.02247PC1 0.2008 · PC2 -0.129PC1 -0.5725 · PC2 -0.03234PC1 -0.5149 · PC2 0.021PC1 -0.1727 · PC2 0.1872PC1 0.7456 · PC2 -0.1753PC1 -0.4258 · PC2 -0.1228PC1 -0.426 · PC2 0.09772PC1 -0.4524 · PC2 0.3348PC1 -0.5648 · PC2 0.3176PC1 0.3428 · PC2 0.142PC1 -0.6857 · PC2 0.1018PC1 -0.4189 · PC2 0.195PC1 0.1925 · PC2 0.08926PC1 0.2693 · PC2 -0.1475PC1 -0.3316 · PC2 0.2999PC1 -0.08584 · PC2 -0.1844PC1 -0.4962 · PC2 0.1784PC1 -0.486 · PC2 0.3657PC1 0.01721 · PC2 0.1625PC1 -0.0349 · PC2 0.4096PC1 -0.666 · PC2 0.01032PC1 -0.3794 · PC2 -0.1946PC1 -0.5851 · PC2 0.144PC1 -0.3352 · PC2 -0.01178PC1 -0.1116 · PC2 0.2379PC1 -0.06541 · PC2 0.1049PC1 -0.4169 · PC2 -0.2846PC1 -0.4412 · PC2 0.228PC1 -0.4248 · PC2 0.2293PC1 -0.4105 · PC2 -0.003101PC1 -0.6281 · PC2 -0.3214PC1 -0.5449 · PC2 -0.3127PC1 -1.183 · PC2 0.1613PC1 -0.1324 · PC2 -0.2855PC1 -0.4047 · PC2 -0.1055PC1 0.1276 · PC2 0.3326PC1 0.01101 · PC2 -0.2442PC1 -0.4058 · PC2 0.3604PC1 0.4397 · PC2 -0.2614PC1 0.126 · PC2 0.1558PC1 0.03632 · PC2 -0.5578PC1 -0.4717 · PC2 0.001938PC1 -0.8068 · PC2 0.357PC1 0.1141 · PC2 -0.1932PC1 -0.5988 · PC2 0.269PC1 -0.9578 · PC2 -0.05434PC1 -0.409 · PC2 -0.1227PC1 -0.5808 · PC2 0.2261PC1 0.3226 · PC2 -0.0558PC1 -0.5932 · PC2 -0.02575PC1 -0.5225 · PC2 0.534PC1 -0.3821 · PC2 0.09161PC1 -0.06341 · PC2 0.1473PC1 0.0573 · PC2 0.1133PC1 -0.5122 · PC2 0.3476PC1 -0.3087 · PC2 0.1367PC1 -0.4479 · PC2 0.227PC1 0.4913 · PC2 -0.06403PC1 -0.3875 · PC2 0.0361PC1 -0.2296 · PC2 0.2664PC1 -0.836 · PC2 0.3424PC1 -0.1147 · PC2 -0.3047PC1 0.0861 · PC2 -0.06236PC1 -0.2595 · PC2 0.1537PC1 -0.01972 · PC2 0.1015PC1 -0.4711 · PC2 0.1237PC1 0.3337 · PC2 0.01807PC1 -0.2043 · PC2 0.2445PC1 0.4586 · PC2 -0.05375PC1 0.415 · PC2 0.1122PC1 -0.5266 · PC2 0.09672PC1 -0.8975 · PC2 0.3186PC1 0.1335 · PC2 0.119PC1 0.04291 · PC2 -0.1024PC1 0.1476 · PC2 -0.02972PC1 0.1707 · PC2 -0.16PC1 -0.04813 · PC2 0.2179PC1 -0.04481 · PC2 0.2088PC1 0.0307 · PC2 -0.1546PC1 -0.06976 · PC2 0.1706PC1 -0.2928 · PC2 -0.2861PC1 -0.3465 · PC2 -0.1942PC1 -0.0009218 · PC2 0.03281PC1 -0.03474 · PC2 0.233PC1 0.05616 · PC2 0.2867PC1 -0.5133 · PC2 -0.04329PC1 -0.4205 · PC2 -0.1794PC1 -0.05931 · PC2 0.06718PC1 -0.2577 · PC2 -0.4829PC1 -0.3476 · PC2 -0.3013PC1 -0.7609 · PC2 -0.05987PC1 -0.1737 · PC2 0.1725PC1 -0.4 · PC2 -0.1262PC1 0.02959 · PC2 -0.121PC1 0.3128 · PC2 0.01154PC1 0.4354 · PC2 -0.03694PC1 0.5423 · PC2 -0.03128PC1 0.0625 · PC2 -0.03792PC1 -0.2859 · PC2 -0.2305PC1 -0.4606 · PC2 0.1824PC1 -0.1161 · PC2 0.051PC1 -0.6214 · PC2 -0.1586PC1 0.1226 · PC2 0.04291PC1 -0.1814 · PC2 -0.4172PC1 0.976 · PC2 -0.6898PC1 -0.3848 · PC2 -0.08988PC1 -0.07557 · PC2 -0.08257PC1 -0.5067 · PC2 -0.3008PC1 -0.2213 · PC2 0.3916PC1 0.07397 · PC2 0.484PC1 -0.1602 · PC2 -0.1845PC1 -0.07296 · PC2 0.2473PC1 0.00563 · PC2 -0.08917PC1 0.2815 · PC2 -0.2831PC1 0.6572 · PC2 -0.2698PC1 -0.2831 · PC2 -0.01608PC1 0.6625 · PC2 -0.2883PC1 -0.3204 · PC2 0.3816PC1 -0.3226 · PC2 -0.003934PC1 0.5055 · PC2 -0.2188PC1 -0.1232 · PC2 0.2435PC1 -0.01241 · PC2 0.2331PC1 -0.09702 · PC2 -0.3321PC1 -0.3908 · PC2 0.1362PC1 0.3099 · PC2 -0.1344PC1 -0.7746 · PC2 0.3858PC1 0.5956 · PC2 -0.143PC1 0.2961 · PC2 -0.5083PC1 0.4286 · PC2 -0.07115PC1 0.4279 · PC2 -0.3499PC1 3.664 · PC2 0.172PC1 3.35 · PC2 0.6876PC1 3.794 · PC2 0.1049PC1 -0.3431 · PC2 -0.07382PC1 0.3733 · PC2 0.09859PC1 0.1382 · PC2 0.1271PC1 -0.1966 · PC2 0.1124PC1 -0.1785 · PC2 -0.2715PC1 0.02371 · PC2 -0.2809PC1 0.3498 · PC2 -0.2099PC1 -0.1179 · PC2 0.2466PC1 3.474 · PC2 0.2733PC1 3.493 · PC2 -0.1492PC1 3.762 · PC2 0.3301PC1 0.0004132 · PC2 0.1814PC1 3.635 · PC2 0.1995PC1 0.3321 · PC2 -0.07444PC1 -0.5548 · PC2 0.009129PC1 0.1819 · PC2 -0.06804PC1 -0.03511 · PC2 0.06442PC1 3.146 · PC2 0.2696PC1 -0.7487 · PC2 0.1978PC1 -0.3568 · PC2 0.5325PC1 0.4746 · PC2 -0.2324PC1 0.6698 · PC2 -0.1891PC1 0.1459 · PC2 -0.01244PC1 -0.09321 · PC2 -0.1318PC1 -0.03175 · PC2 -0.129PC1 0.09699 · PC2 0.02414PC1 -0.6625 · PC2 -0.03334PC1 0.1992 · PC2 0.07783PC1 -0.6054 · PC2 -0.1417PC1 0.4673 · PC2 -0.2491PC1 -0.1285 · PC2 -0.0825PC1 0.1339 · PC2 0.356PC1 -0.4619 · PC2 0.3941PC1 (89.1%)PC2 (7.6%)259 scores
PCA explained variance0%25%50%75%100%PC1: 89.1% (cumulative 89.1%)1PC2: 7.6% (cumulative 96.6%)2PC3: 3.0% (cumulative 99.7%)3PC4: 0.2% (cumulative 99.8%)4PC5: 0.1% (cumulative 99.9%)5PC6: 0.0% (cumulative 99.9%)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)
X-Y spectral correlation 4
X · chloride_average spectral correlation-1-0.500.51absolute correlation envelopesigned correlationabsolute correlation7501,0001,2501,5001,750|r|signed raxis · Pearson correlation scale
X · chloridometer_reading1 spectral correlation-1-0.500.51absolute correlation envelopesigned correlationabsolute correlation7501,0001,2501,5001,750|r|signed raxis · Pearson correlation scale
X · chloridometer_reading2 spectral correlation-1-0.500.51absolute correlation envelopesigned correlationabsolute correlation7501,0001,2501,5001,750|r|signed raxis · Pearson correlation scale
Targetmax |r|axis @ maxmean |r||r| ≥ .5
chloride_average0.2441,6860.03220.0%
chloridometer_reading10.2471,6860.03070.0%
chloridometer_reading20.2481,6860.03180.0%
chloridometer_reading30.2481,6860.0310.0%

Metric interpretation reference

Metric catalog 29
FamilleMétriqueCe qu’elle détecteForte valeur =Faible valeur =Causes typiquesCalcul / score
Intégrité des donnéesNaN ratioDonnées manquantesSpectre corrompuSpectre completErreur acquisition/exportcount(isnan(X)) / X.sizealert = min(1, nan_ratio / 0.05)
Intégrité des donnéesInf countValeurs infiniesCorruptionNormalCalculs invalidescount(isinf(X))alert = min(1, inf_count / 1)
Intégrité des donnéesZero ratioColonnes ou cellules nullesSpectre tronquéNormalExport, saturationcount(X == 0) / count(finite X)alert = min(1, zero_ratio / 0.05)
Amplitude globaleMean reflectanceNiveau moyenTrop clair / fond visibleTrop sombreFond, géométriemean(X finite)alert reuses baseline/shape drift because absolute reflectance ranges are technology-dependent
Amplitude globaleArea under curveIntensité globaleDifférence d'éclairementNormalDistance sondetrapezoid(mean_spectrum, spectral_axis)alert reuses baseline/shape drift because area scale depends on axis and units
Amplitude globalePeak-to-peak (PTP)DynamiqueVariabilité forteSpectre platSaturationmax(mean_spectrum) - min(mean_spectrum)alert increases when dynamic range is abnormally flat
Amplitude globaleVarianceVariabilité spectraleNormal ou hétérogèneSpectre platMauvais contactvar(X finite)alert increases when variance/dynamic range is abnormally flat
BruitNoise RMSBruit haute fréquenceBruitéStableLampe, détecteurmedian MAD(second derivative) * 1.4826 / sqrt(6)alert = noise_rms / signal_scale, saturated at 5%
BruitSNRQualité signalBon signalMauvais signalAcquisitionmean(abs(X)) / noise_rmsalert decreases with SNR dB; >=40 dB is treated as low alert
BruitBandwise SNRBruit localiséZone fiableZone problématiqueDétecteurmin(abs(mean_spectrum) / local second-derivative noise)alert decreases with worst-band SNR dB; >=35 dB is treated as low alert
Artefacts locauxSpike countPics étroitsArtefactsSpectre propreCosmic rays, splicecount robust outliers in second derivativealert follows spike_rate, saturated at 1%
Artefacts locauxSpike rateDensité de picsSpectre suspectNormalInterpolationspike_count / (n_samples * (n_features - 2))alert = min(1, spike_rate / 0.01)
Artefacts locauxJump countDiscontinuitésRaccord détecteurContinuSplicecount robust outliers in first derivativealert follows jump_rate, saturated at 1%
Artefacts locauxJump rateFréquence de sautsProblème spectralNormalCalibrationjump_count / (n_samples * (n_features - 1))alert = min(1, jump_rate / 0.01)
Artefacts locauxClip fractionSaturationClippingNormalDétecteur saturéfraction of finite cells equal to repeated min/max extremaalert = min(1, clip_fraction / 0.01)
Forme spectraleBaseline slopePente globaleDériveStableÉclairementlinear slope of mean_spectrum over normalized axisalert = abs(slope / signal_scale), saturated at 0.5
Forme spectraleCurvature RMSCourbureForme inhabituelleLisseFond, splicemedian RMS(second derivative per spectrum)alert = curvature_rms / signal_scale, saturated at 1%
Forme spectraleD1 RMSVariabilité localeSpectre structuréPlatBiologie ou artefactmedian RMS(first derivative per spectrum)alert = d1_rms / signal_scale, saturated at 5%
Outliers multivariésPCA Q (SPE)Non expliqué par PCASpectre atypiqueConformeArtefact, mélangep95(Q/SPE residual) / median(Q/SPE residual)alert = min(1, pca_q_ratio / 8)
Outliers multivariésHotelling T²Extrême dans PCAExtrême mais cohérentCentralVariabilité naturellep95(Hotelling T2) / median(Hotelling T2)alert = min(1, hotelling_t2_ratio / 8)
Outliers multivariésMahalanobis HDistance au nuageOutlier globalPopulation normaleDomaine différentp95(sqrt(T2)) / median(sqrt(T2))alert = min(1, mahalanobis_h_ratio / 4)
Comparaison à référenceRMS to mean spectrumDistance moyenneSpectre différentTypiqueDomain shiftp95 RMS distance to dataset mean spectrumalert = RMS_p95 / signal_scale, saturated at 25%
Comparaison à référenceSpectral Angle Mapper (SAM)Différence de formeForme différenteSimilaireFond, géométriep95 spectral angle to dataset mean spectrumalert = min(1, SAM_p95 / 0.35 rad)
RépétabilitéRMS intra-IDReproductibilitéMauvaise répétabilitéStablePositionnementmedian RMS distance to repeated-sample centroidalert = RMS_intra_ID / signal_scale, saturated at 10%
RépétabilitéSAM intra-IDVariation de formeInstableStableAcquisitionmedian SAM to repeated-sample centroidalert = min(1, SAM_intra_ID / 0.15 rad)
RépétabilitéCV intra-IDVariabilité interneMauvais contrôleStableOpérateurmedian within-ID band CValert = min(1, CV_intra_ID / 0.25)
Structure du datasetPCA score densityClustersSous-populationsHomogèneLots différents1 / median kNN distance in PCA score spacealert follows density_cv/profile structure complexity, not raw density alone
Structure du datasetLocal Outlier Factor (LOF)Anomalie localeSpectre isoléPopulation normaleCas raresp95 approximate LOF from PCA-score kNN distancesalert = min(1, max(0, LOF_p95 - 1) / 2)
Structure du datasetIsolation Forest scoreAnomalie globaleSpectre atypiqueNormalDiverses causesp95 IsolationForest anomaly score on PCA scoresalert follows structure complexity; raw score is implementation-dependent
Technology-specific extensions
TechnologieAdaptations / métriquesAnomalies cibléesCommentaire pratique
UV-Vis 300-1000 nmBaseline, pente globale, dérive aux bords 300-350 et 900-1000; métriques par zonesLumière parasite, mauvais blanc, saturation, faible signal aux extrémitésLes bords sont souvent instables; calculer aussi des scores edge/middle.
UV-Vis 300-1000 nmSaturation / clipping proche absorbance max ou réflectance maxSignal écrêtéTrès important si absorption forte.
UV-Vis 300-1000 nmRed-edge, position de maximum, ratios de bandes si végétalDécalage biologique ou artefact optiqueAide à distinguer changement réel et problème d'acquisition.
UV-Vis 300-1000 nmSmoothness / roughness indexBruit haute fréquenceSouvent plus informatif que le SNR seul.
MIR / ATR-FTIRATR contact quality index: intensité globale, aire totale, profondeur des bandes clésMauvais contact cristal-échantillonCrucial: beaucoup d'anomalies viennent du contact ATR.
MIR / ATR-FTIRCO2 / H2O atmospheric bandsMauvaise correction atmosphériquePics parasites fréquents.
MIR / ATR-FTIRBaseline curvature / rubber-band residualDiffusion, contact, dérive baselineTrès utile avant PCA.
MIR / ATR-FTIRPeak position shiftMauvais alignement spectral / calibrationImportant en FTIR car de petits shifts comptent.
MIR / ATR-FTIRBand area ratios sur bandes connuesSpectre chimiquement incohérentÀ adapter par matrice: polysaccharides, protéines, lipides, etc.
HS-MSTotal Ion Current (TIC), Base Peak Intensity (BPI)Injection faible, ionisation instableÉquivalent MS du niveau global spectral.
HS-MSNombre de pics détectésSpectre pauvre ou trop bruitéTrop peu = mauvais signal; trop = bruit/contamination.
HS-MSMass accuracy / m/z driftProblème calibration masseFondamental en HRMS.
HS-MSRetention time drift si LC/GC-MSDérive chromatographiqueÀ suivre sur standards/QC pools.
HS-MSBlank contamination scoreContaminants / carry-overComparer échantillons vs blancs.
HS-MSInternal standard CVVariabilité instrumentaleTrès robuste si standards disponibles.
HS-MSMissingness par featureInstabilité de détectionCrucial pour filtrer les variables.
Avec répétitionsRMS intra-échantillonRépétabilité globaleApplicable à toutes les technologies.
Avec répétitionsSAM / corrélation intra-échantillonRépétabilité de formeTrès utile pour spectres.
Avec répétitionsCV intra-échantillon par bande / featureRépétabilité localeDétecte les zones instables.
Avec répétitionsICC ou variance componentsPart variance échantillon vs techniqueTrès utile si plusieurs répétitions par sample.
Avec répétitionsDistance au centroïde intra-IDRépétition aberrantePermet de flagger la mauvaise répétition plutôt que le sample entier.
Bug-hunting / supervised audits
Famille de bug potentielMéthodes à ajouterCe que ça détecteÉtat dans l’explorateur
Shift spectral globalCorrélation spectre moyen inter-dataset, DTW, cross-correlation, comparaison positions de picsDécalage en longueur d'onde, mauvais alignement, interpolation différentePartiellement calculé: cross-correlation lag et dispersion des positions de pics vs spectre moyen.
Baseline / offset / gainRégression chaque spectre vs spectre moyen: x = a + b ref + residual; suivi de a, b, RMS résiduelOffset additif, effet multiplicatif, dérive de baselineCalculé dans reference.affine_*.
Mélange de lignes / mauvais appariement X-M-YVérification index, hash des lignes, duplication ID, distance spectrale intra-ID, labels incohérentsLignes mélangées, metadata mal alignées, Y attribué au mauvais spectrePartiellement couvert par répétabilité intra-ID; checks index/hash à ajouter au pipeline canonical.
Fuite d'information / répétitions mal splitéesGroupKFold par sample_id vs StratifiedKFold random; audit des partitions par sample_idPerformance artificiellement bonne due aux répétitionsNécessite splits et benchmark modèle; non calculé par la carte descriptive.
Label bugsÉchantillons proches en X mais Y différents, confident learning, erreurs systématiques FP/FNY inversés, erreurs de saisie, classes ambiguësNécessite Y et/ou modèle; recommandé pour l'explorateur supervisé.
Sous-domaines cachésPCA/UMAP/t-SNE + clustering non supervisé + association avec dataset/Y/date/operatorLots, campagnes, sondes, backgrounds non renseignésPartiellement calculé par structure PCA/LOF; UMAP/t-SNE hors carte statique.
Artefacts localisés inconnusCarte wavelength x dataset: différence moyenne, différence variance, KS par longueur d'ondeRégions spectrales anormales non anticipéesÀ calculer au niveau banque quand plusieurs datasets partagent un axe spectral.
Ruptures instrumentalesDiscontinuités dans dérivées, changepoint detectionSplice, raccord détecteur, saut local non prévuCalculé par jump/spike rates; changepoint plus avancé à ajouter.
Mélange / contamination spectraleNMF / unmixing / reconstruction par convex hullComposante externe: fond, plastique, solNon calculé automatiquement; nécessite hypothèses de composants ou grande bibliothèque.
Features instables mais prédictivesImportance modèle vs instabilité QC par variableModèle qui apprend un artefact plutôt qu'un signal biologiqueNécessite modèle supervisé; recommandé pour rapports de benchmark.

Variables

Targets 4

chloride_average

target · numeric
chloride_average distribution0501000 – 330.7: 88330.7 – 661.3: 23661.3 – 992: 15992 – 1323: 151323 – 1653: 101653 – 1984: 141984 – 2315: 132315 – 2645: 192645 – 2976: 132976 – 3307: 143307 – 3637: 63637 – 3968: 83968 – 4299: 44299 – 4629: 54629 – 4960: 44960 – 5291: 35291 – 5621: 35621 – 5952: 05952 – 6283: 06283 – 6613: 16613 – 6944: 06944 – 7275: 07275 – 7605: 07605 – 7936: 102,0004,0006,0008,000
n / missing259 / 0
Mean ± SD1568 ± 1.54e+03
Median1091
Range0 – 7936
CV0.983
Skew / kurtosis1 / 0.63
Normal?no

chloridometer_reading1

target · numeric
chloridometer_reading1 distribution0501000 – 11.71: 8611.71 – 23.42: 2323.42 – 35.12: 1635.12 – 46.83: 1546.83 – 58.54: 1058.54 – 70.25: 1470.25 – 81.96: 1181.96 – 93.67: 2293.67 – 105.4: 13105.4 – 117.1: 13117.1 – 128.8: 6128.8 – 140.5: 8140.5 – 152.2: 4152.2 – 163.9: 5163.9 – 175.6: 4175.6 – 187.3: 2187.3 – 199: 4199 – 210.8: 0210.8 – 222.5: 0222.5 – 234.2: 1234.2 – 245.9: 0245.9 – 257.6: 0257.6 – 269.3: 0269.3 – 281: 10100200300
n / missing259 / 1
Mean ± SD55.74 ± 54.4
Median39
Range0 – 281
CV0.975
Skew / kurtosis1 / 0.67
Normal?no

chloridometer_reading2

target · numeric
chloridometer_reading2 distribution0501000 – 11.79: 8411.79 – 23.58: 2823.58 – 35.38: 1435.38 – 47.17: 1447.17 – 58.96: 1058.96 – 70.75: 1570.75 – 82.54: 1482.54 – 94.33: 1794.33 – 106.1: 14106.1 – 117.9: 12117.9 – 129.7: 8129.7 – 141.5: 7141.5 – 153.3: 5153.3 – 165.1: 4165.1 – 176.9: 5176.9 – 188.7: 2188.7 – 200.5: 3200.5 – 212.2: 0212.2 – 224: 0224 – 235.8: 1235.8 – 247.6: 0247.6 – 259.4: 0259.4 – 271.2: 0271.2 – 283: 10100200300
n / missing259 / 1
Mean ± SD55.86 ± 55
Median38.5
Range0 – 283
CV0.984
Skew / kurtosis1 / 0.62
Normal?no

chloridometer_reading3

target · numeric
chloridometer_reading3 distribution0501000 – 11.67: 8611.67 – 23.33: 2823.33 – 35: 1035 – 46.67: 1646.67 – 58.33: 1058.33 – 70: 1370 – 81.67: 1481.67 – 93.33: 1893.33 – 105: 14105 – 116.7: 13116.7 – 128.3: 7128.3 – 140: 7140 – 151.7: 5151.7 – 163.3: 5163.3 – 175: 4175 – 186.7: 2186.7 – 198.3: 4198.3 – 210: 0210 – 221.7: 0221.7 – 233.3: 1233.3 – 245: 0245 – 256.7: 0256.7 – 268.3: 0268.3 – 280: 10100200300
n / missing259 / 1
Mean ± SD55.78 ± 54.7
Median38.5
Range0 – 280
CV0.98
Skew / kurtosis1 / 0.59
Normal?no

Metadata 4

pot_number

metadata · numeric
pot_number distribution0510151 – 12.04: 1212.04 – 23.08: 1123.08 – 34.12: 1134.12 – 45.17: 1145.17 – 56.21: 1156.21 – 67.25: 1167.25 – 78.29: 1178.29 – 89.33: 1089.33 – 100.4: 10100.4 – 111.4: 10111.4 – 122.5: 11122.5 – 133.5: 11133.5 – 144.5: 11144.5 – 155.6: 11155.6 – 166.6: 10166.6 – 177.7: 11177.7 – 188.7: 11188.7 – 199.8: 11199.8 – 210.8: 11210.8 – 221.8: 11221.8 – 232.9: 8232.9 – 243.9: 11243.9 – 255: 11255 – 266: 120100200300
n / missing259 / 0
Mean ± SD132.8 ± 77.2
Median133
Range1 – 266
CV0.581
Skew / kurtosis0.0096 / -1.2
Normal?no

genotype

metadata · categorical
genotype classesBERL9031BERL9031: 1515NM11-081NM11-081: 1515NM11-084NM11-084: 1515NM11-072NM11-072: 1515LONGII9018LONGII9018: 1515NM11-085NM11-085: 1515AZ11-012BAZ11-012B: 1515DOAN9024DOAN9024: 1515NM11-062NM11-062: 1515BERL9043BERL9043: 1414+9 more+9 more: 110110
n / missing259 / 0
Classes19
Balance (entropy)1
Imbalance ratio2
Top classBERL9031 (15)

replicate

metadata · numeric
replicate distribution02040601 – 1.167: 551.167 – 1.333: 01.333 – 1.5: 01.5 – 1.667: 01.667 – 1.833: 01.833 – 2: 02 – 2.167: 502.167 – 2.333: 02.333 – 2.5: 02.5 – 2.667: 02.667 – 2.833: 02.833 – 3: 03 – 3.167: 533.167 – 3.333: 03.333 – 3.5: 03.5 – 3.667: 03.667 – 3.833: 03.833 – 4: 04 – 4.167: 524.167 – 4.333: 04.333 – 4.5: 04.5 – 4.667: 04.667 – 4.833: 04.833 – 5: 4912345
n / missing259 / 0
Mean ± SD2.961 ± 1.42
Median3
Range1 – 5
CV0.478
Skew / kurtosis0.019 / -1.3
Normal?no

salt_treatment_mM_NaCl

metadata · numeric
salt_treatment_mM_NaCl distribution0501000 – 3.125: 823.125 – 6.25: 06.25 – 9.375: 09.375 – 12.5: 012.5 – 15.62: 015.62 – 18.75: 018.75 – 21.88: 021.88 – 25: 025 – 28.12: 028.12 – 31.25: 031.25 – 34.38: 034.38 – 37.5: 037.5 – 40.62: 040.62 – 43.75: 043.75 – 46.88: 046.88 – 50: 050 – 53.12: 8853.12 – 56.25: 056.25 – 59.38: 059.38 – 62.5: 062.5 – 65.62: 065.62 – 68.75: 068.75 – 71.88: 071.88 – 75: 89020406080
n / missing259 / 0
Mean ± SD42.76 ± 30.9
Median50
Range0 – 75
CV0.724
Skew / kurtosis-0.45 / -1.4
Normal?no
Constant metadata 14
  • trialtrial01
  • article_urlhttps://acsess.onlinelibrary.wiley.com/doi/10.1002/ppj2.70012
  • doi_publication10.1002/ppj2.70012
  • instrument_nameNIR-S-G1
  • spectroscopy_typeNIR
  • signal_typereflectance
  • axis_unitnm
  • axis_min901
  • axis_max1,702
  • n_points_original228
  • licenseNOASSERTION
  • rights_statusno_explicit_repository_license
  • public_release_allowedFalse
  • decoderpandas.read_csv

Alignment

Alignment levelobservation
Sample id availableyes
Samples259
Observations (total)259
Reps per samplemin 1 · mean 1 · max 1

Provenance & citation

ContributorHyperspectral sensing for high-throughput chloride detection in grapevines
Origin · script [manual]source_to_standard.py — standardization script (maintainer-only)

Governance & integrity

Tierprivate
LicenseLicenseRef-not-cleared
Permitted useResearch and benchmarking; private use only.
Access policyManual download / private-use-only per source.
RedistributionWiley article is Open Access and points to GitHub data, but the GitHub repository API reports no explicit repository license.
Content version1.0.0
Schema / protocol2.0
Content hashe963179e3ad9cf05…
Processing hash77ae60877fc4dab5…
Metadata hashfcff7da266837a36…

Load this dataset

# pip install nirs4all-datasets
from nirs4all_datasets import get

# private dataset — export requires a Dataverse token
ds = get("github_grapevine_chloride_nirsg1_nir", token="…")
X, y = ds.x(), ds.y()
print(X.shape, y.shape)

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