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ECOSTRESS rock all axis 8cf1b56d

ecostress · other

ECOSTRESS rock all axis 8cf1b56d. v2.0 standardized NIRS package: 1 spectral source(s), 3 declared target(s). Auto-generated from dataset_card.json (verify before publication).

nirv2ecostress
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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.
35
samples
2,826
wavelengths
1
sources
3
targets
27
metadata
other
family

Dataset property explorer

Mean profile risk0.57
Highest axisOutliers PCA · 1.00
Diagnostics8
Sources profiled1
ECOSTRESS rock all axis 8cf1b56d property profile0.250.50.751integritynoiseartefactsbaselinePCA outliersreferencerepeatabilitystructureECOSTRESS rock all axis 8cf1b56d profileintegrity: 0.00noise: 0.03artefacts: 0.50baseline: 1.00PCA outliers: 1.00reference: 1.00repeatability: 0.00structure: 1.00ECOSTRESS rock …0 center · 1 outer ring · outward = stronger anomaly / heterogeneity signal

Profile axes

Intégrité0.00
Artefacts locaux0.50
Bruit0.03
Outliers PCA1.00
Distance à la référence1.00
Répétabilité0.00
Baseline / forme1.00
Structure multi-régimes1.00
Diagnostic hypotheses00.250.50.751hypothesis scoreSpectre hors domaine valideSpectre hors domaine valide: 0.840.84Fond différentFond différent: 0.820.82Erreur calibration / référenc…Erreur calibration / référence blanche: 0.780.78Splice / raccord détecteursSplice / raccord détecteurs: 0.670.67Dataset multi-régimesDataset multi-régimes: 0.670.67Mélange feuille + fondMélange feuille + fond: 0.660.66Différence de sonde / géométr…Différence de sonde / géométrie: 0.630.63Signature VERA25-likeSignature VERA25-like: 0.600.60
DiagnosticScoreForceSignauxInterprétation probable
Spectre hors domaine valideX0.84forteMahalanobis / T2 1.00, RMS/SAM référence 1.00, Structure PCA 1.00Variété, espèce, lot ou condition différente mais physiquement plausible.
Fond différentX0.82forteMahalanobis / T2 1.00, Baseline/mean/area 1.00, RMS/SAM référence 1.00Effet systématique du support, blanc/noir, transflectance ou environnement de mesure.
Erreur calibration / référence blancheX0.78forteMahalanobis / T2 1.00, Baseline/mean/area 1.00, RMS/SAM référence 1.00Décalage systématique entre campagnes, instruments ou référence blanche.
Splice / raccord détecteursX0.67moyenneRMS/SAM référence 1.00, SNR non dégradé 1.00, PCA Q 0.68Rupture aux jonctions de détecteurs, calibration locale ou sonde différente.
Dataset multi-régimesX0.67moyenneStructure PCA 1.00, RMS/SAM référence 1.00, Mahalanobis / T2 1.00Mélange de campagnes, opérateurs, lots, setups ou sous-populations spectrales.
Mélange feuille + fondX0.66moyenneMahalanobis / T2 1.00, Baseline/mean/area 1.00, RMS/SAM référence 1.00Couverture partielle du spot; contribution du fond ou du support.
Différence de sonde / géométrieX0.63moyenneMahalanobis / T2 1.00, Baseline/mean/area 1.00, RMS/SAM référence 1.00Modification de l'illumination, collecte, angle ou distance sonde-échantillon.
Signature VERA25-likeX0.60moyenneMahalanobis / T2 1.00, RMS/SAM référence 1.00, PCA Q 0.68Combinaison possible changement de sonde + splice, amplifiée par géométrie, fond ou calibration.

Spectral sources

rock all

X · other · source instruments vary by sample
rock all spectra0.00.20.40.60.8051015q05-q95 envelopeq25-q75 envelopemedian spectrummedianq25–q75q05–q95wavelength / none0.4none — median 0.133 (q25–q75 0.112–0.3275)0.42none — median 0.13 (q25–q75 0.1085–0.3285)0.441none — median 0.129 (q25–q75 0.1024–0.3337)0.461none — median 0.119 (q25–q75 0.09405–0.3326)0.481none — median 0.118 (q25–q75 0.0899–0.3351)0.502none — median 0.113 (q25–q75 0.0879–0.3419)0.522none — median 0.116 (q25–q75 0.0879–0.344)0.542none — median 0.116 (q25–q75 0.0884–0.3501)0.563none — median 0.115 (q25–q75 0.08905–0.3568)0.583none — median 0.116 (q25–q75 0.0914–0.3603)0.603none — median 0.115 (q25–q75 0.0904–0.3598)0.624none — median 0.118 (q25–q75 0.09205–0.3589)0.644none — median 0.118 (q25–q75 0.0924–0.3616)0.664none — median 0.12 (q25–q75 0.0929–0.3618)0.685none — median 0.12 (q25–q75 0.0949–0.3639)0.705none — median 0.122 (q25–q75 0.0944–0.3671)0.725none — median 0.1212 (q25–q75 0.0954–0.3724)0.746none — median 0.1202 (q25–q75 0.0959–0.3754)0.766none — median 0.1212 (q25–q75 0.0974–0.3809)0.786none — median 0.12 (q25–q75 0.0979–0.3866)0.824none — median 0.122 (q25–q75 0.095–0.3984)0.908none — median 0.122 (q25–q75 0.0985–0.4144)0.988none — median 0.117 (q25–q75 0.097–0.4395)1.068none — median 0.114 (q25–q75 0.09535–0.463)1.152none — median 0.115 (q25–q75 0.09685–0.4835)1.232none — median 0.115 (q25–q75 0.09485–0.4925)1.312none — median 0.115 (q25–q75 0.09335–0.507)1.396none — median 0.115 (q25–q75 0.08985–0.484)1.476none — median 0.117 (q25–q75 0.08885–0.4739)1.556none — median 0.12 (q25–q75 0.09085–0.4904)1.64none — median 0.121 (q25–q75 0.09035–0.503)1.72none — median 0.121 (q25–q75 0.0885–0.489)1.8none — median 0.12 (q25–q75 0.08535–0.4888)1.884none — median 0.116 (q25–q75 0.08285–0.3918)1.964none — median 0.114 (q25–q75 0.0809–0.3565)2.044none — median 0.116 (q25–q75 0.0829–0.4211)2.1055none — median 0.1046 (q25–q75 0.08605–0.445)2.1228none — median 0.1037 (q25–q75 0.0867–0.4381)2.1403none — median 0.1047 (q25–q75 0.08605–0.419)2.159none — median 0.1037 (q25–q75 0.08625–0.4005)2.1771none — median 0.1034 (q25–q75 0.08335–0.4193)2.1956none — median 0.1037 (q25–q75 0.08445–0.4256)2.2153none — median 0.1026 (q25–q75 0.08385–0.4057)2.2344none — median 0.1016 (q25–q75 0.0843–0.3716)2.2538none — median 0.1024 (q25–q75 0.0827–0.3295)2.2745none — median 0.1036 (q25–q75 0.08275–0.2782)2.2947none — median 0.1011 (q25–q75 0.084–0.2437)2.3152none — median 0.1022 (q25–q75 0.08165–0.2252)2.3371none — median 0.1013 (q25–q75 0.083–0.2046)2.3583none — median 0.1005 (q25–q75 0.08125–0.2397)2.38none — median 0.101 (q25–q75 0.08–0.3284)2.4031none — median 0.1013 (q25–q75 0.07925–0.3311)2.4256none — median 0.0998 (q25–q75 0.07895–0.3076)2.4485none — median 0.0998 (q25–q75 0.0777–0.257)2.4718none — median 0.0979 (q25–q75 0.0769–0.2057)2.4968none — median 0.0985 (q25–q75 0.075–0.1826)2.5211none — median 0.0989 (q25–q75 0.07375–0.1671)2.5459none — median 0.0969 (q25–q75 0.0727–0.1762)2.5724none — median 0.0977 (q25–q75 0.07065–0.2455)2.5981none — median 0.0991 (q25–q75 0.0707–0.2913)2.6244none — median 0.0972 (q25–q75 0.06985–0.2988)2.6526none — median 0.095 (q25–q75 0.06625–0.2864)2.6801none — median 0.0871 (q25–q75 0.06145–0.2481)2.708none — median 0.0692 (q25–q75 0.0445–0.1654)2.7381none — median 0.0609 (q25–q75 0.03775–0.1223)2.7673none — median 0.0567 (q25–q75 0.03665–0.103)2.7971none — median 0.058 (q25–q75 0.03765–0.0908)2.8292none — median 0.0562 (q25–q75 0.037–0.0846)2.8604none — median 0.056 (q25–q75 0.0361–0.0775)2.8923none — median 0.0562 (q25–q75 0.0374–0.07215)2.9266none — median 0.0549 (q25–q75 0.0362–0.07155)2.96none — median 0.0565 (q25–q75 0.03715–0.0699)2.9941none — median 0.0559 (q25–q75 0.03715–0.06995)3.0309none — median 0.0566 (q25–q75 0.0385–0.0712)3.0667none — median 0.057 (q25–q75 0.03885–0.07025)3.1035none — median 0.0576 (q25–q75 0.03815–0.07225)3.1429none — median 0.0583 (q25–q75 0.0406–0.0766)3.1815none — median 0.0622 (q25–q75 0.0415–0.0839)3.221none — median 0.064 (q25–q75 0.0428–0.0882)3.2636none — median 0.0649 (q25–q75 0.0437–0.0873)3.3052none — median 0.0615 (q25–q75 0.04395–0.0762)3.3479none — median 0.0522 (q25–q75 0.04495–0.0656)3.3939none — median 0.0544 (q25–q75 0.0471–0.0663)3.4389none — median 0.055 (q25–q75 0.04795–0.06705)3.4851none — median 0.0544 (q25–q75 0.04645–0.06225)3.535none — median 0.0671 (q25–q75 0.0554–0.08255)3.5838none — median 0.0779 (q25–q75 0.0572–0.09595)3.6341none — median 0.0842 (q25–q75 0.05965–0.1102)3.6857none — median 0.0853 (q25–q75 0.06105–0.1152)3.7416none — median 0.0796 (q25–q75 0.062–0.1024)3.7963none — median 0.0652 (q25–q75 0.0574–0.08025)3.8527none — median 0.06 (q25–q75 0.05055–0.0707)3.9138none — median 0.0593 (q25–q75 0.047–0.068)3.9738none — median 0.0509 (q25–q75 0.04195–0.0646)4.0356none — median 0.0654 (q25–q75 0.05625–0.0765)4.1027none — median 0.0732 (q25–q75 0.06205–0.0862)4.1686none — median 0.0791 (q25–q75 0.0611–0.0974)4.2367none — median 0.0738 (q25–q75 0.05635–0.1011)4.3107none — median 0.075 (q25–q75 0.0583–0.09905)4.3835none — median 0.0733 (q25–q75 0.0577–0.1051)4.4589none — median 0.0708 (q25–q75 0.0562–0.0912)4.5409none — median 0.064 (q25–q75 0.05395–0.0803)4.6219none — median 0.0611 (q25–q75 0.0515–0.07)4.7057none — median 0.0591 (q25–q75 0.04975–0.07)4.7971none — median 0.0577 (q25–q75 0.04875–0.0879)4.8876none — median 0.0555 (q25–q75 0.0477–0.0846)4.9814none — median 0.0545 (q25–q75 0.0468–0.08035)5.084none — median 0.0506 (q25–q75 0.0456–0.0686)5.1857none — median 0.0491 (q25–q75 0.0455–0.0694)5.2915none — median 0.0465 (q25–q75 0.04255–0.05605)5.4074none — median 0.0427 (q25–q75 0.0371–0.0471)5.5225none — median 0.037 (q25–q75 0.02895–0.03925)5.6427none — median 0.0348 (q25–q75 0.0281–0.03685)5.7746none — median 0.0304 (q25–q75 0.02565–0.03535)5.9062none — median 0.0276 (q25–q75 0.02225–0.0324)6.0438none — median 0.021 (q25–q75 0.01785–0.02555)6.1954none — median 0.0287 (q25–q75 0.02495–0.03235)6.3471none — median 0.0419 (q25–q75 0.0341–0.1031)6.5063none — median 0.0607 (q25–q75 0.03955–0.2822)6.6824none — median 0.0546 (q25–q75 0.03755–0.2087)6.8591none — median 0.047 (q25–q75 0.0344–0.169)7.0455none — median 0.047 (q25–q75 0.0342–0.1509)7.2423none — median 0.0412 (q25–q75 0.02865–0.0956)7.4611none — median 0.0392 (q25–q75 0.02525–0.07995)7.6821none — median 0.0377 (q25–q75 0.02335–0.0768)7.9167none — median 0.0352 (q25–q75 0.02185–0.07365)8.1788none — median 0.0357 (q25–q75 0.0264–0.07145)8.4452none — median 0.0578 (q25–q75 0.0391–0.06765)8.7295none — median 0.0641 (q25–q75 0.05365–0.07825)9.0494none — median 0.0826 (q25–q75 0.06875–0.09025)9.3766none — median 0.0954 (q25–q75 0.0737–0.109)9.7284none — median 0.0882 (q25–q75 0.0685–0.1127)10.127none — median 0.0705 (q25–q75 0.0597–0.09615)10.539none — median 0.069 (q25–q75 0.0581–0.09795)10.985none — median 0.0736 (q25–q75 0.0638–0.0942)11.497none — median 0.0704 (q25–q75 0.0553–0.08005)12.03none — median 0.0528 (q25–q75 0.03945–0.06055)12.616none — median 0.0408 (q25–q75 0.03105–0.04795)13.295none — median 0.0367 (q25–q75 0.028–0.0429)14.013none — median 0.0339 (q25–q75 0.02645–0.04175)

Sampling

Wavelengths2,826
Axis range0.4–14.01 none
Mean spacing0.00482 none
Gridirregular
Observations35

Signal & quality

Value range0.012 – 0.713
Mean range0.0226 – 0.26
Mean level0.131
Area1.227
PTP0.2379
Noise RMS0.00036316
SNR3.6e+02
SNR dB5e+01 dB
Dynamic range0.238
Smoothness0.001706
Saturated0.0%
X-outliers11

Integrity & artefacts

NaN ratio0.00%
Inf count0
Zero ratio0.00%
Spike count486
Spike rate0.49%
Jump count494
Jump rate0.50%
Clip fraction0.00%

Shape & reference

Baseline slope-0.25634
Curvature RMS0.00153
D1 RMS0.0011687
RMS to mean0.089083
RMS p950.20702
SAM to mean0.27036
SAM p950.36798
Affine offset p950.10248
Affine gain p95 Δ1.8113
Affine residual p950.057154
Xcorr lag p955

Outliers & repeatability

PCA Q p95/median5.4
Hotelling T2 p95/median9.3
Mahalanobis H p95/median3
Repeat groups0

Dimensionality (PCA)

Effective rank1.3
PCs → 95% var2
PCs → 99% var3
Top-10 cum. var99.9%
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_reflectance0.1311.00fortValeur 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_curve1.22751.00fortValeur 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_peak0.237890.00faibleVariabilité forteSaturationmax(mean_spectrum) - min(mean_spectrum)alert increases when dynamic range is abnormally flat
Amplitude globaleVarianceamplitude.variance0.0202480.00faibleNormal ou hétérogèneMauvais contactvar(X finite)alert increases when variance/dynamic range is abnormally flat
BruitNoise RMSnoise.noise_rms0.000363160.03faibleStableLampe, détecteurmedian MAD(second derivative) * 1.4826 / sqrt(6)alert = noise_rms / signal_scale, saturated at 5%
BruitSNRnoise.snr360.710.00faibleBon signalAcquisitionmean(abs(X)) / noise_rmsalert decreases with SNR dB; >=40 dB is treated as low alert
BruitBandwise SNRnoise.bandwise_snr_min24.30.21faibleZone 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_count4860.49moyenArtefactsCosmic rays, splicecount robust outliers in second derivativealert follows spike_rate, saturated at 1%
Artefacts locauxSpike rateartefacts.spike_rate0.492%0.49moyenSpectre suspectInterpolationspike_count / (n_samples * (n_features - 2))alert = min(1, spike_rate / 0.01)
Artefacts locauxJump countartefacts.jump_count4940.50moyenRaccord détecteurSplicecount robust outliers in first derivativealert follows jump_rate, saturated at 1%
Artefacts locauxJump rateartefacts.jump_rate0.5%0.50moyenProblème spectralCalibrationjump_count / (n_samples * (n_features - 1))alert = min(1, jump_rate / 0.01)
Artefacts locauxClip fractionartefacts.clip_fraction0.00202%0.00faibleNormalDétecteur saturéfraction of finite cells equal to repeated min/max extremaalert = min(1, clip_fraction / 0.01)
Forme spectraleBaseline slopeshape.baseline_slope-0.256341.00fortDériveÉclairementlinear slope of mean_spectrum over normalized axisalert = abs(slope / signal_scale), saturated at 0.5
Forme spectraleCurvature RMSshape.curvature_rms0.001530.64moyenForme inhabituelleFond, splicemedian RMS(second derivative per spectrum)alert = curvature_rms / signal_scale, saturated at 1%
Forme spectraleD1 RMSshape.d1_rms0.00116870.10faiblePlatBiologie ou artefactmedian RMS(first derivative per spectrum)alert = d1_rms / signal_scale, saturated at 5%
Outliers multivariésPCA Q (SPE)outliers.pca_q_ratio5.43650.68moyenSpectre atypiqueArtefact, mélangep95(Q/SPE residual) / median(Q/SPE residual)alert = min(1, pca_q_ratio / 8)
Outliers multivariésHotelling T²outliers.hotelling_t2_ratio9.3231.00fortExtrême mais cohérentVariabilité naturellep95(Hotelling T2) / median(Hotelling T2)alert = min(1, hotelling_t2_ratio / 8)
Outliers multivariésMahalanobis Houtliers.mahalanobis_h_ratio3.04430.76fortOutlier globalDomaine différentp95(sqrt(T2)) / median(sqrt(T2))alert = min(1, mahalanobis_h_ratio / 4)
Comparaison à référenceRMS to mean spectrumreference.rms_to_mean_spectrum_p950.207021.00fortSpectre 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_p950.367981.00fortForme différenteFond, 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_density1.32431.00fortSous-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_p955.48361.00fortSpectre 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_p950.607651.00fortSpectre atypiqueDiverses causesp95 IsolationForest anomaly score on PCA scoresalert follows structure complexity; raw score is implementation-dependent
X PCA score plot-10-5051015-6-4-202PC1 -3.822 · PC2 -0.06184PC1 -3.638 · PC2 -0.6175PC1 -4.105 · PC2 -0.2482PC1 -3.79 · PC2 -0.6031PC1 -4.617 · PC2 -0.3524PC1 -3.938 · PC2 0.1496PC1 -4.88 · PC2 -0.08017PC1 -4.425 · PC2 0.03388PC1 -4.226 · PC2 0.3219PC1 -5.14 · PC2 0.4781PC1 -4.838 · PC2 0.2422PC1 -4.228 · PC2 0.9113PC1 -4.35 · PC2 -0.4229PC1 -2.775 · PC2 0.152PC1 -5.843 · PC2 0.448PC1 -4.497 · PC2 0.1637PC1 -5.111 · PC2 0.2179PC1 -4.959 · PC2 0.1836PC1 -4.719 · PC2 0.1381PC1 -5.376 · PC2 0.3949PC1 -4.672 · PC2 0.3372PC1 -3.3 · PC2 0.6597PC1 9.946 · PC2 -1.516PC1 8.78 · PC2 -0.7069PC1 0.4807 · PC2 -0.4489PC1 6.534 · PC2 -3.128PC1 4.288 · PC2 0.4404PC1 7.691 · PC2 0.4894PC1 11.78 · PC2 1.199PC1 2.962 · PC2 0.03594PC1 12.15 · PC2 1.305PC1 8.1 · PC2 1.127PC1 10.42 · PC2 1.981PC1 8.752 · PC2 1.758PC1 5.36 · PC2 -4.982PC1 (94.7%)PC2 (3.8%)35 scores
PCA explained variance0%25%50%75%100%PC1: 94.7% (cumulative 94.7%)1PC2: 3.8% (cumulative 98.5%)2PC3: 0.5% (cumulative 99.0%)3PC4: 0.3% (cumulative 99.4%)4PC5: 0.3% (cumulative 99.6%)5PC6: 0.2% (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)

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 3

material_name

target · categorical
material_name classesBasaltBasalt: 2222Limestone CaCO3Limestone CaCO3: 1010Dolomite CaMgCO3Dolomite CaMgCO3: 33
n / missing35 / 0
Classes3
Balance (entropy)0.78
Imbalance ratio7
Top classBasalt (22)

class_label

target · categorical
class_label classesIgneousIgneous: 2222SedimentarySedimentary: 1313
n / missing35 / 0
Classes2
Balance (entropy)0.95
Imbalance ratio2
Top classIgneous (22)

subclass

target · categorical
subclass classesMaficMafic: 2222LimestoneLimestone: 1010dolomitedolomite: 22DolomiteDolomite: 11
n / missing35 / 0
Classes4
Balance (entropy)0.66
Imbalance ratio22
Top classMafic (22)

Metadata 4

ecostress_resource_id

metadata · categorical
n / missing35 / 0
Classes35
Balance (entropy)1
Imbalance ratio1
Top classrock.igneous.mafic.solid.all.ba12c1f.usgs.perknic.spectrum (1)

location

metadata · categorical
location classesRonda, SpainRonda, Spain: 1313Wadi Salima, JordanWadi Salima, Jordan: 77Sweimah, JordanSweimah, Jordan: 44Wadi Mujib, JordanWadi Mujib, Jordan: 33Kerak/DAT RAS, JordanKerak/DAT RAS, Jordan: 22Wadi Zerqa Ma'in, JordanWadi Zerqa Ma'in, Jordan: 22Tel Jeiza, JordanTel Jeiza, Jordan: 22Kerak (near Samra), JordanKerak (near Samra), Jordan: 11DANA, JordanDANA, Jordan: 11
n / missing35 / 0
Classes9
Balance (entropy)0.84
Imbalance ratio13
Top classRonda, Spain (13)

sample_description

metadata · categorical
n / missing35 / 0
Classes35
Balance (entropy)1
Imbalance ratio1
Top classdark gray vesicular basalt Sample was Whole rock chips Original ASTER Spectral Library name was usgs.perknic.rock.igneous.mafic.solid.ba12c1f.spectrum.txt (1)

notes

metadata · categorical
n / missing35 / 1
Classes34
Balance (entropy)1
Imbalance ratio1
Top classrock.igneous.mafic.solid.all.ba12c1f.usgs.perknic.ancillary.txt (1)
Constant metadata 14
  • categoryrock
  • material_typeRock
  • instrumentusgs.perknic
  • acquisition_modeReflectance
  • signal_typeReflectance (percent)
  • axis_unitWavelength (micrometers)
  • axis_min0.4
  • axis_max14.01
  • n_points_original2,826
  • publication_doi10.1016/j.rse.2019.05.015
  • citationMeerdink et al. 2019, Baldridge et al. 2009
  • licenseCopyright California Institute of Technology / JPL, all rights reserved
  • rights_statusmanual_review_needed
  • usage_scopeprivate_use_only

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

Alignment

Alignment levelobservation
Sample id availableyes
Samples35
Observations (total)35
Reps per samplemin 1 · mean 1 · max 1

Provenance & citation

ContributorECOSTRESS Spectral Library
Origin · url [open]https://speclib.jpl.nasa.gov/download
Origin · url [open]https://speclib.jpl.nasa.gov/
Origin · script [manual]source_to_standard.py — standardization script (maintainer-only)
Publication10.1016/j.rse.2019.05.015 — The ECOSTRESS spectral library version 1.0
Publication10.1016/j.rse.2008.11.007 — The ASTER Spectral Library Version 2.0

Governance & integrity

Tierprivate
LicenseLicenseRef-not-cleared
Permitted useResearch and benchmarking; private use only.
Access policyManual download / private-use-only per source.
RedistributionOfficial ECOSTRESS page requests citation and states copyright/all rights reserved; converted matrices are private/internal until redistribution rights are clarified.
Content version1.0.0
Schema / protocol2.0
Content hash9c4069257a83ca43…
Processing hash0ebcba83cd4025b6…
Metadata hashfb40569b076c2427…

Load this dataset

# pip install nirs4all-datasets
from nirs4all_datasets import get

# private dataset — export requires a Dataverse token
ds = get("ecostress_rock_all_2826points", token="…")
X, y = ds.x(), ds.y()
print(X.shape, y.shape)

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