← Back to the catalog
Private

EcoSIS 2019 PLOSONE wheat hessian fly ms (reflectance)

ecosis · NIR

EcoSIS 2019 PLOSONE wheat hessian fly ms (reflectance). v2.0 standardized NIRS package: 1 spectral source(s), 2 declared target(s). Auto-generated from dataset_card.json (verify before publication).

nirv2ecosis
🔒
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.
74
samples
2,151
wavelengths
1
sources
2
targets
27
metadata
NIR
family

Dataset property explorer

Mean profile risk0.43
Highest axisArtefacts locaux · 1.00
Diagnostics8
Sources profiled1
EcoSIS 2019 PLOSONE wheat hessian fly ms (reflectance) property profile0.250.50.751integritynoiseartefactsbaselinePCA outliersreferencerepeatabilitystructureEcoSIS 2019 PLOSONE wheat hessian fly ms (reflectance) profileintegrity: 0.00noise: 0.00artefacts: 1.00baseline: 0.75PCA outliers: 0.61reference: 0.36repeatability: 0.00structure: 0.74EcoSIS 2019 PLO…0 center · 1 outer ring · outward = stronger anomaly / heterogeneity signal

Profile axes

Intégrité0.00
Artefacts locaux1.00
Bruit0.00
Outliers PCA0.61
Distance à la référence0.36
Répétabilité0.00
Baseline / forme0.75
Structure multi-régimes0.74
Diagnostic hypotheses00.250.50.751hypothesis scoreSplice / raccord détecteursSplice / raccord détecteurs: 0.700.70Erreur interpolation / réécha…Erreur interpolation / rééchantillonnage: 0.620.62Signature VERA25-likeSignature VERA25-like: 0.550.55Erreur calibration / référenc…Erreur calibration / référence blanche: 0.550.55Fond différentFond différent: 0.490.49Différence de sonde / géométr…Différence de sonde / géométrie: 0.460.46Spectre hors domaine valideSpectre hors domaine valide: 0.420.42Dataset multi-régimesDataset multi-régimes: 0.390.39
DiagnosticScoreForceSignauxInterprétation probable
Splice / raccord détecteursX0.70moyenneSpike rate 1.00, Jump rate 1.00, SNR non dégradé 1.00Rupture aux jonctions de détecteurs, calibration locale ou sonde différente.
Erreur interpolation / rééchantillonnageX0.62moyenneSpike rate 1.00, Jump rate 1.00, SNR normal/élevé 1.00Artefacts numériques ou traitement spectral incorrect.
Signature VERA25-likeX0.55moyenneSpike rate 1.00, Jump rate 1.00, Mahalanobis / T2 0.61Combinaison possible changement de sonde + splice, amplifiée par géométrie, fond ou calibration.
Erreur calibration / référence blancheX0.55moyenneartefacts locaux 1.00, Baseline/mean/area 0.75, Mahalanobis / T2 0.61Décalage systématique entre campagnes, instruments ou référence blanche.
Fond différentX0.49moyenneBaseline/mean/area 0.75, Mahalanobis / T2 0.61, PCA Q 0.46Effet systématique du support, blanc/noir, transflectance ou environnement de mesure.
Différence de sonde / géométrieX0.46moyenneBaseline/mean/area 0.75, Mahalanobis / T2 0.61, PCA Q 0.46Modification de l'illumination, collecte, angle ou distance sonde-échantillon.
Spectre hors domaine valideX0.42moyenneStructure PCA 0.74, Mahalanobis / T2 0.61, RMS/SAM référence 0.36Variété, espèce, lot ou condition différente mais physiquement plausible.
Dataset multi-régimesX0.39faibleStructure PCA 0.74, Mahalanobis / T2 0.61, PCA Q 0.46Mélange de campagnes, opérateurs, lots, setups ou sous-populations spectrales.

Spectral sources

C_N_data.csv

X · NIR · SVC 1024i
C_N_data.csv spectra0.00.20.40.601,0002,0003,000q05-q95 envelopeq25-q75 envelopemedian spectrummedianq25–q75q05–q95wavelength / nm350nm — median 0.07594 (q25–q75 0.07117–0.08621)365nm — median 0.04966 (q25–q75 0.04341–0.0586)381nm — median 0.03957 (q25–q75 0.03575–0.04523)396nm — median 0.04178 (q25–q75 0.03854–0.0471)412nm — median 0.04792 (q25–q75 0.04382–0.05425)427nm — median 0.05116 (q25–q75 0.04435–0.0566)443nm — median 0.05195 (q25–q75 0.04351–0.05618)458nm — median 0.0518 (q25–q75 0.04394–0.05651)474nm — median 0.05069 (q25–q75 0.04269–0.0553)489nm — median 0.05053 (q25–q75 0.04298–0.05446)505nm — median 0.05523 (q25–q75 0.05093–0.05879)520nm — median 0.08088 (q25–q75 0.07687–0.09099)536nm — median 0.112 (q25–q75 0.1049–0.1239)551nm — median 0.1181 (q25–q75 0.1106–0.1302)567nm — median 0.1034 (q25–q75 0.09742–0.1147)582nm — median 0.0803 (q25–q75 0.07651–0.09031)597nm — median 0.07099 (q25–q75 0.06705–0.07912)613nm — median 0.06163 (q25–q75 0.05828–0.068)628nm — median 0.05485 (q25–q75 0.05141–0.06096)644nm — median 0.04833 (q25–q75 0.04504–0.05261)659nm — median 0.04132 (q25–q75 0.03793–0.04634)675nm — median 0.03902 (q25–q75 0.03567–0.04337)690nm — median 0.04993 (q25–q75 0.04716–0.05426)706nm — median 0.1498 (q25–q75 0.1331–0.1601)721nm — median 0.2655 (q25–q75 0.2509–0.277)737nm — median 0.3574 (q25–q75 0.3464–0.3708)752nm — median 0.3921 (q25–q75 0.377–0.4143)768nm — median 0.4021 (q25–q75 0.3853–0.4245)783nm — median 0.4031 (q25–q75 0.3855–0.4264)799nm — median 0.4027 (q25–q75 0.3846–0.4265)814nm — median 0.4021 (q25–q75 0.3838–0.4261)829nm — median 0.4016 (q25–q75 0.3828–0.4257)845nm — median 0.4009 (q25–q75 0.3821–0.4252)860nm — median 0.4007 (q25–q75 0.3817–0.4252)876nm — median 0.4004 (q25–q75 0.381–0.4249)891nm — median 0.4001 (q25–q75 0.3801–0.4242)907nm — median 0.3991 (q25–q75 0.3791–0.4232)922nm — median 0.3976 (q25–q75 0.3778–0.4219)938nm — median 0.3947 (q25–q75 0.3749–0.4181)953nm — median 0.389 (q25–q75 0.3701–0.4117)969nm — median 0.3844 (q25–q75 0.3664–0.4067)984nm — median 0.3839 (q25–q75 0.3651–0.4053)1,000nm — median 0.388 (q25–q75 0.3692–0.4121)1,015nm — median 0.3923 (q25–q75 0.3743–0.4183)1,031nm — median 0.3954 (q25–q75 0.3768–0.4228)1,046nm — median 0.3963 (q25–q75 0.3777–0.4246)1,062nm — median 0.3965 (q25–q75 0.3779–0.4252)1,077nm — median 0.396 (q25–q75 0.3774–0.4249)1,092nm — median 0.3949 (q25–q75 0.3764–0.4239)1,108nm — median 0.393 (q25–q75 0.3747–0.4217)1,123nm — median 0.3904 (q25–q75 0.3723–0.4185)1,139nm — median 0.3815 (q25–q75 0.3633–0.4064)1,154nm — median 0.3692 (q25–q75 0.3514–0.3904)1,170nm — median 0.366 (q25–q75 0.349–0.3869)1,185nm — median 0.3658 (q25–q75 0.3486–0.3865)1,201nm — median 0.3661 (q25–q75 0.3493–0.3867)1,216nm — median 0.3679 (q25–q75 0.3505–0.3885)1,232nm — median 0.3699 (q25–q75 0.3516–0.3907)1,247nm — median 0.3708 (q25–q75 0.3524–0.3921)1,263nm — median 0.3707 (q25–q75 0.3523–0.3925)1,278nm — median 0.3693 (q25–q75 0.3507–0.391)1,294nm — median 0.3654 (q25–q75 0.3468–0.3864)1,309nm — median 0.3581 (q25–q75 0.3402–0.3778)1,324nm — median 0.3462 (q25–q75 0.3287–0.365)1,340nm — median 0.3291 (q25–q75 0.3135–0.3456)1,355nm — median 0.3117 (q25–q75 0.2993–0.3278)1,371nm — median 0.2895 (q25–q75 0.2774–0.3032)1,386nm — median 0.2365 (q25–q75 0.2285–0.2486)1,402nm — median 0.1588 (q25–q75 0.1521–0.1637)1,417nm — median 0.1226 (q25–q75 0.1156–0.1273)1,433nm — median 0.1134 (q25–q75 0.107–0.1187)1,448nm — median 0.1136 (q25–q75 0.108–0.1194)1,464nm — median 0.1193 (q25–q75 0.1137–0.1256)1,479nm — median 0.134 (q25–q75 0.1275–0.1401)1,495nm — median 0.1547 (q25–q75 0.1475–0.1603)1,510nm — median 0.1736 (q25–q75 0.1681–0.1798)1,526nm — median 0.1931 (q25–q75 0.1881–0.2012)1,541nm — median 0.2125 (q25–q75 0.2051–0.2196)1,556nm — median 0.2287 (q25–q75 0.2195–0.2353)1,572nm — median 0.2415 (q25–q75 0.2335–0.2494)1,587nm — median 0.2513 (q25–q75 0.2432–0.2596)1,603nm — median 0.2605 (q25–q75 0.2516–0.27)1,618nm — median 0.2665 (q25–q75 0.2582–0.278)1,634nm — median 0.2717 (q25–q75 0.2636–0.2837)1,649nm — median 0.2752 (q25–q75 0.2665–0.2869)1,665nm — median 0.2767 (q25–q75 0.2673–0.2881)1,680nm — median 0.2759 (q25–q75 0.2657–0.2879)1,696nm — median 0.2724 (q25–q75 0.2631–0.2851)1,711nm — median 0.2683 (q25–q75 0.2594–0.281)1,727nm — median 0.2622 (q25–q75 0.2531–0.2735)1,742nm — median 0.2537 (q25–q75 0.2443–0.2639)1,758nm — median 0.2428 (q25–q75 0.2334–0.2519)1,773nm — median 0.2331 (q25–q75 0.2241–0.2408)1,788nm — median 0.2271 (q25–q75 0.2177–0.2344)1,804nm — median 0.2249 (q25–q75 0.2156–0.2328)1,819nm — median 0.223 (q25–q75 0.2139–0.2313)1,835nm — median 0.2177 (q25–q75 0.2085–0.2255)1,850nm — median 0.2029 (q25–q75 0.1934–0.21)1,866nm — median 0.161 (q25–q75 0.1533–0.1669)1,881nm — median 0.0941 (q25–q75 0.08901–0.09885)1,897nm — median 0.04296 (q25–q75 0.03956–0.04623)1,912nm — median 0.02098 (q25–q75 0.01794–0.02362)1,928nm — median 0.01892 (q25–q75 0.0164–0.02097)1,943nm — median 0.02056 (q25–q75 0.01838–0.02297)1,959nm — median 0.0254 (q25–q75 0.02263–0.02821)1,974nm — median 0.03179 (q25–q75 0.02844–0.0353)1,990nm — median 0.04069 (q25–q75 0.0365–0.04465)2,005nm — median 0.04998 (q25–q75 0.04563–0.05487)2,021nm — median 0.06071 (q25–q75 0.05616–0.06609)2,036nm — median 0.07076 (q25–q75 0.06551–0.07671)2,051nm — median 0.08005 (q25–q75 0.07456–0.08659)2,067nm — median 0.09017 (q25–q75 0.08456–0.09708)2,082nm — median 0.09987 (q25–q75 0.09376–0.1071)2,098nm — median 0.1101 (q25–q75 0.103–0.1176)2,113nm — median 0.1192 (q25–q75 0.1115–0.1275)2,129nm — median 0.1272 (q25–q75 0.1192–0.1363)2,144nm — median 0.1324 (q25–q75 0.1251–0.1411)2,160nm — median 0.1355 (q25–q75 0.1285–0.1441)2,175nm — median 0.1371 (q25–q75 0.1304–0.1452)2,191nm — median 0.137 (q25–q75 0.1313–0.1453)2,206nm — median 0.1371 (q25–q75 0.1315–0.145)2,222nm — median 0.136 (q25–q75 0.1305–0.144)2,237nm — median 0.1335 (q25–q75 0.1274–0.1413)2,253nm — median 0.1279 (q25–q75 0.1219–0.1361)2,268nm — median 0.1214 (q25–q75 0.1148–0.1298)2,283nm — median 0.1152 (q25–q75 0.109–0.1238)2,299nm — median 0.109 (q25–q75 0.1018–0.1179)2,314nm — median 0.1028 (q25–q75 0.09486–0.1112)2,330nm — median 0.09558 (q25–q75 0.0887–0.1039)2,345nm — median 0.08837 (q25–q75 0.08151–0.09637)2,361nm — median 0.08248 (q25–q75 0.07484–0.09028)2,376nm — median 0.0781 (q25–q75 0.06868–0.08739)2,392nm — median 0.06823 (q25–q75 0.06082–0.07586)2,407nm — median 0.0603 (q25–q75 0.05404–0.06683)2,423nm — median 0.05425 (q25–q75 0.04783–0.05959)2,438nm — median 0.0488 (q25–q75 0.04213–0.05378)2,454nm — median 0.04206 (q25–q75 0.03667–0.04708)2,469nm — median 0.03596 (q25–q75 0.03166–0.04032)2,485nm — median 0.03175 (q25–q75 0.02708–0.03553)2,500nm — median 0.02797 (q25–q75 0.02487–0.03248)

Sampling

Wavelengths2,151
Axis range350–2,500 nm
Mean spacing1 nm
Griduniform
Observations74

Signal & quality

Value range0.0138 – 0.483
Mean range0.0201 – 0.408
Mean level0.2028
Area436.2
PTP0.3881
Noise RMS3.0268e-05
SNR6.7e+03
SNR dB8e+01 dB
Dynamic range0.388
Smoothness0.0007658
Saturated0.0%
X-outliers28

Integrity & artefacts

NaN ratio0.00%
Inf count0
Zero ratio0.00%
Spike count7,197
Spike rate4.53%
Jump count4,868
Jump rate3.06%
Clip fraction0.01%

Shape & reference

Baseline slope-0.1453
Curvature RMS0.00076492
D1 RMS0.0015336
RMS to mean0.015162
RMS p950.035046
SAM to mean0.035328
SAM p950.073339
Affine offset p950.025332
Affine gain p95 Δ0.18438
Affine residual p950.014876
Xcorr lag p950

Outliers & repeatability

PCA Q p95/median3.7
Hotelling T2 p95/median4.9
Mahalanobis H p95/median2.2
Repeat groups0

Dimensionality (PCA)

Effective rank2.1
PCs → 95% var3
PCs → 99% var5
Top-10 cum. var99.7%
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_reflectance0.202810.75fortValeur 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_curve436.190.75fortValeur 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_peak0.388120.00faibleVariabilité forteSaturationmax(mean_spectrum) - min(mean_spectrum)alert increases when dynamic range is abnormally flat
Amplitude globaleVarianceamplitude.variance0.0190960.00faibleNormal ou hétérogèneMauvais contactvar(X finite)alert increases when variance/dynamic range is abnormally flat
BruitNoise RMSnoise.noise_rms3.0268e-050.00faibleStableLampe, détecteurmedian MAD(second derivative) * 1.4826 / sqrt(6)alert = noise_rms / signal_scale, saturated at 5%
BruitSNRnoise.snr6700.40.00faibleBon signalAcquisitionmean(abs(X)) / noise_rmsalert decreases with SNR dB; >=40 dB is treated as low alert
BruitBandwise SNRnoise.bandwise_snr_min13.5590.35faibleZone 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_count7,1971.00fortArtefactsCosmic rays, splicecount robust outliers in second derivativealert follows spike_rate, saturated at 1%
Artefacts locauxSpike rateartefacts.spike_rate4.53%1.00fortSpectre suspectInterpolationspike_count / (n_samples * (n_features - 2))alert = min(1, spike_rate / 0.01)
Artefacts locauxJump countartefacts.jump_count4,8681.00fortRaccord détecteurSplicecount robust outliers in first derivativealert follows jump_rate, saturated at 1%
Artefacts locauxJump rateartefacts.jump_rate3.06%1.00fortProblème spectralCalibrationjump_count / (n_samples * (n_features - 1))alert = min(1, jump_rate / 0.01)
Artefacts locauxClip fractionartefacts.clip_fraction0.00503%0.01faibleNormalDétecteur saturéfraction of finite cells equal to repeated min/max extremaalert = min(1, clip_fraction / 0.01)
Forme spectraleBaseline slopeshape.baseline_slope-0.14530.75fortDériveÉclairementlinear slope of mean_spectrum over normalized axisalert = abs(slope / signal_scale), saturated at 0.5
Forme spectraleCurvature RMSshape.curvature_rms0.000764920.20faibleLisseFond, splicemedian RMS(second derivative per spectrum)alert = curvature_rms / signal_scale, saturated at 1%
Forme spectraleD1 RMSshape.d1_rms0.00153360.08faiblePlatBiologie ou artefactmedian RMS(first derivative per spectrum)alert = d1_rms / signal_scale, saturated at 5%
Outliers multivariésPCA Q (SPE)outliers.pca_q_ratio3.67270.46moyenSpectre atypiqueArtefact, mélangep95(Q/SPE residual) / median(Q/SPE residual)alert = min(1, pca_q_ratio / 8)
Outliers multivariésHotelling T²outliers.hotelling_t2_ratio4.90550.61moyenExtrême mais cohérentVariabilité naturellep95(Hotelling T2) / median(Hotelling T2)alert = min(1, hotelling_t2_ratio / 8)
Outliers multivariésMahalanobis Houtliers.mahalanobis_h_ratio2.2040.55moyenOutlier globalDomaine différentp95(sqrt(T2)) / median(sqrt(T2))alert = min(1, mahalanobis_h_ratio / 4)
Comparaison à référenceRMS to mean spectrumreference.rms_to_mean_spectrum_p950.0350460.36faibleTypiqueDomain 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_p950.0733390.21faibleSimilaireFond, géométriep95 spectral angle to dataset mean spectrumalert = min(1, SAM_p95 / 0.35 rad)
RépétabilitéRMS intra-IDrepeatability.rms_intra_id0.00faibleStablePositionnementmedian RMS distance to repeated-sample centroidalert = RMS_intra_ID / signal_scale, saturated at 10%
RépétabilitéSAM intra-IDrepeatability.sam_intra_id0.00faibleStableAcquisitionmedian SAM to repeated-sample centroidalert = min(1, SAM_intra_ID / 0.15 rad)
RépétabilitéCV intra-IDrepeatability.cv_intra_id0.00faibleStableOpérateurmedian within-ID band CValert = min(1, CV_intra_ID / 0.25)
Structure du datasetPCA score densitystructure.pca_score_density3.10550.74fortSous-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_p952.20640.60moyenSpectre 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_p950.604490.74fortSpectre atypiqueDiverses causesp95 IsolationForest anomaly score on PCA scoresalert follows structure complexity; raw score is implementation-dependent
X PCA score plot-2-1012-0.50.00.51.01.5PC1 -0.3524 · PC2 0.00546PC1 -0.8007 · PC2 -0.2335PC1 -0.4234 · PC2 -0.437PC1 -0.2871 · PC2 0.02475PC1 -0.5208 · PC2 0.007781PC1 -0.02323 · PC2 1.06PC1 0.2298 · PC2 0.9396PC1 -0.5691 · PC2 -0.04637PC1 -0.9271 · PC2 -0.2249PC1 -0.7779 · PC2 -0.2654PC1 -0.6591 · PC2 -0.1344PC1 -0.5206 · PC2 0.0662PC1 -0.2838 · PC2 0.1641PC1 -0.8882 · PC2 -0.0867PC1 0.1811 · PC2 0.1533PC1 -0.4015 · PC2 0.2496PC1 -0.08713 · PC2 0.1014PC1 -0.3706 · PC2 0.1922PC1 0.08981 · PC2 0.2145PC1 -0.5475 · PC2 0.05051PC1 -0.516 · PC2 0.08947PC1 -0.6988 · PC2 0.02786PC1 -0.2577 · PC2 0.2925PC1 -0.8267 · PC2 0.001886PC1 -1.453 · PC2 -0.2103PC1 -0.6456 · PC2 0.1805PC1 -0.9955 · PC2 0.2762PC1 -1.287 · PC2 0.1973PC1 -1.326 · PC2 -0.2199PC1 -1.687 · PC2 -0.3788PC1 0.241 · PC2 -0.07904PC1 0.7029 · PC2 0.0704PC1 0.1954 · PC2 -0.1955PC1 0.5357 · PC2 -0.1249PC1 0.1371 · PC2 0.1349PC1 -0.01272 · PC2 -0.2353PC1 0.4909 · PC2 -0.4101PC1 0.6989 · PC2 0.07437PC1 0.5936 · PC2 0.005046PC1 0.5439 · PC2 0.4879PC1 -0.9858 · PC2 0.5276PC1 0.1437 · PC2 -0.3697PC1 -0.8116 · PC2 -0.06345PC1 -0.4363 · PC2 -0.4029PC1 -0.6357 · PC2 -0.2521PC1 -0.2635 · PC2 -0.4197PC1 -0.4631 · PC2 -0.2829PC1 -0.7452 · PC2 -0.06399PC1 -0.01327 · PC2 0.1326PC1 -0.4596 · PC2 -0.03169PC1 0.1247 · PC2 0.3626PC1 -0.2592 · PC2 0.6702PC1 -0.9344 · PC2 0.2374PC1 0.1982 · PC2 0.2452PC1 1.72 · PC2 -0.01201PC1 0.9743 · PC2 -0.213PC1 1.4 · PC2 0.2262PC1 0.95 · PC2 -0.3805PC1 1.297 · PC2 -0.05184PC1 0.7215 · PC2 -0.0773PC1 1.106 · PC2 -0.2105PC1 1.652 · PC2 -0.1041PC1 1.608 · PC2 0.1744PC1 -0.1315 · PC2 -0.3467PC1 1.131 · PC2 -0.246PC1 1.376 · PC2 -0.1665PC1 1.516 · PC2 0.06113PC1 1.337 · PC2 0.01999PC1 1.608 · PC2 -0.1948PC1 0.207 · PC2 -0.1224PC1 0.258 · PC2 0.3346PC1 0.06907 · PC2 -0.3565PC1 0.3384 · PC2 -0.33PC1 -0.09021 · PC2 -0.07915PC1 (80.7%)PC2 (10.3%)74 scores
PCA explained variance0%25%50%75%100%PC1: 80.7% (cumulative 80.7%)1PC2: 10.3% (cumulative 90.9%)2PC3: 6.4% (cumulative 97.3%)3PC4: 1.2% (cumulative 98.5%)4PC5: 0.5% (cumulative 99.0%)5PC6: 0.3% (cumulative 99.4%)6PC7: 0.1% (cumulative 99.5%)7PC8: 0.1% (cumulative 99.6%)8PC9: 0.1% (cumulative 99.7%)9PC10: 0.1% (cumulative 99.7%)10cumulative explained variancePC variancecumulativeprincipal component · cumulative (dashed)
X-Y spectral correlation 2
X · N spectral correlation-1-0.500.51absolute correlation envelopesigned correlationabsolute correlation01,0002,0003,000|r|signed raxis · Pearson correlation scale
X · C spectral correlation-1-0.500.51absolute correlation envelopesigned correlationabsolute correlation01,0002,0003,000|r|signed raxis · Pearson correlation scale
Targetmax |r|axis @ maxmean |r||r| ≥ .5
N0.5694660.3115.7%
C0.3897070.1920.0%

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 2

N

target · numeric
N distribution0510151.901 – 2.079: 12.079 – 2.256: 22.256 – 2.433: 02.433 – 2.61: 02.61 – 2.787: 52.787 – 2.964: 42.964 – 3.141: 13.141 – 3.318: 53.318 – 3.495: 13.495 – 3.673: 33.673 – 3.85: 53.85 – 4.027: 54.027 – 4.204: 24.204 – 4.381: 64.381 – 4.558: 14.558 – 4.735: 24.735 – 4.912: 24.912 – 5.089: 45.089 – 5.267: 135.267 – 5.444: 35.444 – 5.621: 05.621 – 5.798: 15.798 – 5.975: 45.975 – 6.152: 412510
n / missing74 / 0
Mean ± SD4.292 ± 1.09
Median4.307
Range1.901 – 6.152
CV0.254
Skew / kurtosis-0.19 / -0.93
Normal?no

C

target · numeric
C distribution051037.9 – 38.11: 338.11 – 38.32: 038.32 – 38.53: 138.53 – 38.74: 438.74 – 38.95: 138.95 – 39.16: 539.16 – 39.37: 539.37 – 39.59: 139.59 – 39.8: 439.8 – 40.01: 640.01 – 40.22: 840.22 – 40.43: 740.43 – 40.64: 840.64 – 40.85: 540.85 – 41.06: 641.06 – 41.27: 141.27 – 41.49: 241.49 – 41.7: 141.7 – 41.91: 041.91 – 42.12: 342.12 – 42.33: 142.33 – 42.54: 142.54 – 42.75: 042.75 – 42.96: 13638404244
n / missing74 / 0
Mean ± SD40.15 ± 1.05
Median40.19
Range37.9 – 42.96
CV0.0261
Skew / kurtosis0.1 / 0.12
Normal?yes
Constant metadata 17
  • ecosis_resource_id03ed9c21-3120-455c-acb4-53711b2eb381
  • locationWest Lafayette, IN
  • coordinate_precision_notessource-provided coordinates when available
  • plant_partLeaf
  • instrumentSVC 1024i
  • acquisition_modeContact
  • signal_typereflectance
  • axis_unitnm
  • axis_min350
  • axis_max2,500
  • n_points_original2,151
  • publication_doi10.21232/dep7jvyq | 10.21232/qpx6-2145
  • citationCamposMedina C Cotrozzi L Stuart JJ Couture. 2019 PLOSONE wheat hessian fly ms. Data set. Available on-line [http://ecosis.org] from the Ecological Spectral Information System (EcoSIS). doi:10.21232/qpx6-2145
  • licensenot specified
  • rights_statusmanual_review_needed
  • usage_scopeprivate_use_only
  • notesEcoSIS package 2019-plosone-wheat-hessian-fly-ms, no interpolation applied by project.

10 variable(s) omitted (no recorded values).

Alignment

Alignment levelobservation
Sample id availableyes
Samples74
Observations (total)74
Reps per samplemin 1 · mean 1 · max 1

Provenance & citation

Contributor2019 PLOSONE wheat hessian fly ms
Origin · url [open]https://data.ecosis.org/dataset/2019-plosone-wheat-hessian-fly-ms
Origin · script [manual]source_to_standard.py — standardization script (maintainer-only)
Publication10.21232/qpx6-2145 — 2019 PLOSONE wheat hessian fly ms
Publication10.21232/dep7jvyq

Governance & integrity

Tierprivate
LicenseLicenseRef-not-cleared
Permitted useResearch and benchmarking; private use only.
Access policyManual download / private-use-only per source.
RedistributionEcoSIS license is missing or unclear; private/internal conversion only by v0.5 policy.
Content version1.0.0
Schema / protocol2.0
Content hashf84fd78098b5106a…
Processing hash0992826eaa42a23f…
Metadata hashf1719fc656bb08ef…

Load this dataset

# pip install nirs4all-datasets
from nirs4all_datasets import get

# private dataset — export requires a Dataverse token
ds = get("ecosis_2019_plosone_wheat_hessian_fly_ms_reflectance_nirs", token="…")
X, y = ds.x(), ds.y()
print(X.shape, y.shape)

Metadata downloads are available for public datasets only. The dataset bytes are never served here — fetch them from the origin / DOI above.