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ECOSTRESS rock all axis 20b176d4

ecostress · other

ECOSTRESS rock all axis 20b176d4. v2.0 standardized NIRS package: 1 spectral source(s), 4 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.
27
samples
2,231
wavelengths
1
sources
4
targets
27
metadata
other
family

Dataset property explorer

Mean profile risk0.58
Highest axisDistance à la référence · 1.00
Diagnostics8
Sources profiled1
ECOSTRESS rock all axis 20b176d4 property profile0.250.50.751integritynoiseartefactsbaselinePCA outliersreferencerepeatabilitystructureECOSTRESS rock all axis 20b176d4 profileintegrity: 0.00noise: 0.03artefacts: 0.65baseline: 1.00PCA outliers: 0.97reference: 1.00repeatability: 0.00structure: 1.00ECOSTRESS rock …0 center · 1 outer ring · outward = stronger anomaly / heterogeneity signal

Profile axes

Intégrité0.00
Artefacts locaux0.65
Bruit0.03
Outliers PCA0.97
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: 0.800.80Fond différentFond différent: 0.800.80Erreur calibration / référenc…Erreur calibration / référence blanche: 0.780.78Splice / raccord détecteursSplice / raccord détecteurs: 0.690.69Dataset multi-régimesDataset multi-régimes: 0.660.66Mélange feuille + fondMélange feuille + fond: 0.640.64Différence de sonde / géométr…Différence de sonde / géométrie: 0.630.63Signature VERA25-likeSignature VERA25-like: 0.610.61
DiagnosticScoreForceSignauxInterprétation probable
Spectre hors domaine valideX0.80forteRMS/SAM référence 1.00, Structure PCA 1.00, Mahalanobis / T2 0.97Variété, espèce, lot ou condition différente mais physiquement plausible.
Fond différentX0.80forteBaseline/mean/area 1.00, RMS/SAM référence 1.00, Mahalanobis / T2 0.97Effet systématique du support, blanc/noir, transflectance ou environnement de mesure.
Erreur calibration / référence blancheX0.78forteBaseline/mean/area 1.00, RMS/SAM référence 1.00, Mahalanobis / T2 0.97Décalage systématique entre campagnes, instruments ou référence blanche.
Splice / raccord détecteursX0.69moyenneRMS/SAM référence 1.00, SNR non dégradé 1.00, Spike rate 0.65Rupture aux jonctions de détecteurs, calibration locale ou sonde différente.
Dataset multi-régimesX0.66moyenneStructure PCA 1.00, RMS/SAM référence 1.00, Mahalanobis / T2 0.97Mélange de campagnes, opérateurs, lots, setups ou sous-populations spectrales.
Mélange feuille + fondX0.64moyenneBaseline/mean/area 1.00, RMS/SAM référence 1.00, Mahalanobis / T2 0.97Couverture partielle du spot; contribution du fond ou du support.
Différence de sonde / géométrieX0.63moyenneBaseline/mean/area 1.00, RMS/SAM référence 1.00, Mahalanobis / T2 0.97Modification de l'illumination, collecte, angle ou distance sonde-échantillon.
Signature VERA25-likeX0.61moyenneRMS/SAM référence 1.00, Mahalanobis / T2 0.97, Spike rate 0.65Combinaison possible changement de sonde + splice, amplifiée par géométrie, fond ou calibration.

Spectral sources

rock all

X · other · source instruments vary by sample
rock all spectra020406080051015q05-q95 envelopeq25-q75 envelopemedian spectrummedianq25–q75q05–q95wavelength / none14.051none — median 2.966 (q25–q75 2.364–3.487)13.467none — median 3.1 (q25–q75 2.848–3.584)12.93none — median 3.358 (q25–q75 2.915–3.796)12.434none — median 3.718 (q25–q75 3.105–4.166)11.975none — median 4.81 (q25–q75 3.301–5.665)11.548none — median 6.19 (q25–q75 4.094–7.401)11.151none — median 7.509 (q25–q75 5.145–9.255)10.78none — median 8.322 (q25–q75 5.217–10.24)10.433none — median 8.477 (q25–q75 5.583–10.41)10.108none — median 8.374 (q25–q75 6.52–11.48)9.802none — median 8.765 (q25–q75 6.968–12.88)9.514none — median 9.229 (q25–q75 7.607–12.87)9.226none — median 8.199 (q25–q75 6.68–9.847)8.971none — median 8.055 (q25–q75 6.51–9.517)8.73none — median 6.056 (q25–q75 5.552–7.318)8.501none — median 5.428 (q25–q75 4.692–6.268)8.283none — median 4.45 (q25–q75 3.517–5.696)8.077none — median 2.657 (q25–q75 1.906–4.547)7.881none — median 2.565 (q25–q75 1.638–3.317)7.694none — median 2.441 (q25–q75 1.751–3.075)7.515none — median 2.348 (q25–q75 1.942–3.1)7.345none — median 2.287 (q25–q75 2.07–3.183)7.182none — median 2.41 (q25–q75 2.065–3.306)7.026none — median 2.771 (q25–q75 1.849–3.384)6.877none — median 2.977 (q25–q75 1.869–3.481)6.734none — median 3.141 (q25–q75 2.359–3.538)6.597none — median 3.317 (q25–q75 2.781–3.595)6.466none — median 3.368 (q25–q75 2.776–3.981)6.339none — median 2.997 (q25–q75 2.534–3.466)6.218none — median 2.925 (q25–q75 2.323–3.353)6.101none — median 2.812 (q25–q75 2.384–3.178)5.988none — median 2.997 (q25–q75 2.534–3.332)5.879none — median 3.44 (q25–q75 2.817–4.002)5.775none — median 3.832 (q25–q75 3.116–4.455)5.674none — median 3.966 (q25–q75 3.373–5.171)5.57none — median 4.13 (q25–q75 3.564–5.335)5.476none — median 4.419 (q25–q75 3.914–5.923)5.385none — median 4.481 (q25–q75 4.125–5.737)5.297none — median 4.563 (q25–q75 4.151–6.01)5.212none — median 4.882 (q25–q75 4.249–6.824)5.129none — median 5.15 (q25–q75 4.269–7.128)5.049none — median 5.377 (q25–q75 4.341–6.669)4.972none — median 5.346 (q25–q75 4.357–6.546)4.897none — median 5.902 (q25–q75 4.491–7.375)4.824none — median 6.087 (q25–q75 4.573–7.735)4.753none — median 6.304 (q25–q75 4.692–8.055)4.684none — median 6.396 (q25–q75 4.882–8.544)4.618none — median 6.355 (q25–q75 4.98–8.956)4.553none — median 6.51 (q25–q75 5.279–9.574)4.49none — median 6.736 (q25–q75 5.387–10.54)4.428none — median 7.086 (q25–q75 5.5–11.06)4.369none — median 7.385 (q25–q75 5.557–11.45)4.311none — median 7.632 (q25–q75 5.562–11.35)4.254none — median 6.932 (q25–q75 5.634–11.71)4.199none — median 8.178 (q25–q75 5.665–12.37)4.145none — median 8.23 (q25–q75 5.722–12.94)4.093none — median 8.364 (q25–q75 5.655–13.06)4.042none — median 8.209 (q25–q75 5.67–12.88)3.989none — median 7.807 (q25–q75 5.608–12.77)3.941none — median 8.075 (q25–q75 5.552–12.97)3.893none — median 8.271 (q25–q75 5.407–13)3.847none — median 8.333 (q25–q75 5.505–13.05)3.802none — median 8.549 (q25–q75 5.48–13.16)3.758none — median 8.776 (q25–q75 5.51–13.07)3.715none — median 8.786 (q25–q75 5.49–12.88)3.673none — median 8.714 (q25–q75 5.387–12.71)3.632none — median 8.631 (q25–q75 5.346–12.42)3.591none — median 8.518 (q25–q75 5.227–11.73)3.552none — median 8.333 (q25–q75 5.253–10.66)3.513none — median 7.89 (q25–q75 5.14–9.826)3.476none — median 7.519 (q25–q75 5.042–9.481)3.439none — median 7.117 (q25–q75 5.021–9.244)3.403none — median 6.747 (q25–q75 4.877–8.647)3.367none — median 6.334 (q25–q75 4.877–8.183)3.333none — median 5.881 (q25–q75 4.949–8.039)3.299none — median 5.665 (q25–q75 4.856–7.983)3.266none — median 5.593 (q25–q75 4.759–7.632)3.233none — median 5.387 (q25–q75 4.687–7.437)3.201none — median 5.191 (q25–q75 4.635–7.241)3.17none — median 4.954 (q25–q75 4.599–6.886)3.139none — median 4.717 (q25–q75 4.506–6.654)3.109none — median 4.594 (q25–q75 4.475–6.314)3.078none — median 4.46 (q25–q75 4.305–6.087)3.049none — median 4.522 (q25–q75 4.29–6.015)3.02none — median 4.357 (q25–q75 4.182–5.922)2.992none — median 4.45 (q25–q75 4.187–6.154)2.965none — median 4.481 (q25–q75 4.233–6.098)2.938none — median 4.645 (q25–q75 4.182–6.175)2.912none — median 4.666 (q25–q75 4.166–6.278)2.886none — median 4.717 (q25–q75 4.28–6.494)2.86none — median 5.016 (q25–q75 4.331–6.345)2.835none — median 4.759 (q25–q75 4.341–6.422)2.811none — median 4.841 (q25–q75 4.331–6.304)2.787none — median 4.717 (q25–q75 4.269–6.504)2.763none — median 4.717 (q25–q75 4.352–5.917)2.74none — median 5.449 (q25–q75 4.856–7.591)2.717none — median 6.767 (q25–q75 5.366–10.77)2.694none — median 8.302 (q25–q75 6.067–14.67)2.672none — median 13.76 (q25–q75 6.592–19.19)2.65none — median 14.31 (q25–q75 6.587–20.27)2.628none — median 15.03 (q25–q75 6.772–20.5)2.607none — median 15.19 (q25–q75 6.999–20.61)2.586none — median 15.19 (q25–q75 6.865–21.24)2.566none — median 15.19 (q25–q75 6.958–21.21)2.546none — median 15.24 (q25–q75 6.896–21.33)2.525none — median 15.08 (q25–q75 7.019–21.99)2.505none — median 15.52 (q25–q75 7.009–22.05)2.452none — median 16.08 (q25–q75 7.369–23.1)2.388none — median 16.71 (q25–q75 7.53–25.25)2.324none — median 17.16 (q25–q75 7.755–27.17)2.26none — median 17.51 (q25–q75 7.852–28.35)2.196none — median 17.82 (q25–q75 8.037–28.35)2.132none — median 18.36 (q25–q75 8.328–28.3)2.068none — median 18.42 (q25–q75 8.376–28.07)2.004none — median 18.74 (q25–q75 8.606–26.72)1.94none — median 18.79 (q25–q75 8.695–25.13)1.876none — median 19.23 (q25–q75 8.714–32.01)1.812none — median 19.41 (q25–q75 8.768–33.85)1.748none — median 19.67 (q25–q75 8.868–34.32)1.684none — median 19.95 (q25–q75 8.944–34.85)1.62none — median 20.27 (q25–q75 8.847–34.81)1.556none — median 20.18 (q25–q75 8.721–34.16)1.492none — median 19.94 (q25–q75 8.493–32.76)1.428none — median 19.47 (q25–q75 8.146–32.13)1.364none — median 19.52 (q25–q75 8.349–33.19)1.3none — median 19.26 (q25–q75 8.189–32.38)1.236none — median 19.16 (q25–q75 8.141–31.38)1.172none — median 19.19 (q25–q75 8.09–30.21)1.104none — median 18.97 (q25–q75 8.084–28.83)1.04none — median 18.93 (q25–q75 8.13–27.56)0.976none — median 19.24 (q25–q75 8.214–26.81)0.912none — median 19.91 (q25–q75 8.894–26.74)0.848none — median 21.44 (q25–q75 8.564–26.63)0.784none — median 21.96 (q25–q75 9.497–27.22)0.72none — median 18.3 (q25–q75 9.509–26.7)0.656none — median 16.54 (q25–q75 9.475–25.61)0.592none — median 17.27 (q25–q75 9.496–23.72)0.528none — median 15.32 (q25–q75 9.209–21.04)0.464none — median 13.62 (q25–q75 8.568–18.99)0.4none — median 13.06 (q25–q75 8.193–17.57)

Sampling

Wavelengths2,231
Axis range0.4–14.05 none
Mean spacing0.00612 none
Gridirregular
Observations27

Signal & quality

Value range0.834 – 71.7
Mean range2.78 – 24.9
Mean level10.71
Area115
PTP22.12
Noise RMS0.031172
SNR3.4e+02
SNR dB5e+01 dB
Dynamic range22.1
Smoothness0.1445
Saturated0.0%
X-outliers8

Integrity & artefacts

NaN ratio0.00%
Inf count0
Zero ratio0.00%
Spike count393
Spike rate0.65%
Jump count277
Jump rate0.46%
Clip fraction0.00%

Shape & reference

Baseline slope-20.073
Curvature RMS0.14044
D1 RMS0.10692
RMS to mean7.1625
RMS p9517.79
SAM to mean0.29162
SAM p950.47138
Affine offset p9510.594
Affine gain p95 Δ1.9504
Affine residual p955.0116
Xcorr lag p9523

Outliers & repeatability

PCA Q p95/median5.2
Hotelling T2 p95/median7.8
Mahalanobis H p95/median2.8
Repeat groups0

Dimensionality (PCA)

Effective rank1.4
PCs → 95% var2
PCs → 99% var4
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_reflectance10.7131.00fortValeur 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_curve115.041.00fortValeur 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_peak22.120.00faibleVariabilité forteSaturationmax(mean_spectrum) - min(mean_spectrum)alert increases when dynamic range is abnormally flat
Amplitude globaleVarianceamplitude.variance127.790.00faibleNormal ou hétérogèneMauvais contactvar(X finite)alert increases when variance/dynamic range is abnormally flat
BruitNoise RMSnoise.noise_rms0.0311720.03faibleStableLampe, détecteurmedian MAD(second derivative) * 1.4826 / sqrt(6)alert = noise_rms / signal_scale, saturated at 5%
BruitSNRnoise.snr343.670.00faibleBon signalAcquisitionmean(abs(X)) / noise_rmsalert decreases with SNR dB; >=40 dB is treated as low alert
BruitBandwise SNRnoise.bandwise_snr_min39.040.09faibleZone 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_count3930.65moyenArtefactsCosmic rays, splicecount robust outliers in second derivativealert follows spike_rate, saturated at 1%
Artefacts locauxSpike rateartefacts.spike_rate0.653%0.65moyenSpectre suspectInterpolationspike_count / (n_samples * (n_features - 2))alert = min(1, spike_rate / 0.01)
Artefacts locauxJump countartefacts.jump_count2770.46moyenRaccord détecteurSplicecount robust outliers in first derivativealert follows jump_rate, saturated at 1%
Artefacts locauxJump rateartefacts.jump_rate0.46%0.46moyenProblème spectralCalibrationjump_count / (n_samples * (n_features - 1))alert = min(1, jump_rate / 0.01)
Artefacts locauxClip fractionartefacts.clip_fraction0.00332%0.00faibleNormalDétecteur saturéfraction of finite cells equal to repeated min/max extremaalert = min(1, clip_fraction / 0.01)
Forme spectraleBaseline slopeshape.baseline_slope-20.0731.00fortDériveÉclairementlinear slope of mean_spectrum over normalized axisalert = abs(slope / signal_scale), saturated at 0.5
Forme spectraleCurvature RMSshape.curvature_rms0.140440.63moyenForme inhabituelleFond, splicemedian RMS(second derivative per spectrum)alert = curvature_rms / signal_scale, saturated at 1%
Forme spectraleD1 RMSshape.d1_rms0.106920.10faiblePlatBiologie ou artefactmedian RMS(first derivative per spectrum)alert = d1_rms / signal_scale, saturated at 5%
Outliers multivariésPCA Q (SPE)outliers.pca_q_ratio5.22090.65moyenSpectre atypiqueArtefact, mélangep95(Q/SPE residual) / median(Q/SPE residual)alert = min(1, pca_q_ratio / 8)
Outliers multivariésHotelling T²outliers.hotelling_t2_ratio7.79160.97fortExtrême mais cohérentVariabilité naturellep95(Hotelling T2) / median(Hotelling T2)alert = min(1, hotelling_t2_ratio / 8)
Outliers multivariésMahalanobis Houtliers.mahalanobis_h_ratio2.78350.70moyenOutlier globalDomaine différentp95(sqrt(T2)) / median(sqrt(T2))alert = min(1, mahalanobis_h_ratio / 4)
Comparaison à référenceRMS to mean spectrumreference.rms_to_mean_spectrum_p9517.791.00fortSpectre 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_p950.471381.00fortForme 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_density0.0069391.00fortSous-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_p953.17691.00fortSpectre 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_p950.638991.00fortSpectre atypiqueDiverses causesp95 IsolationForest anomaly score on PCA scoresalert follows structure complexity; raw score is implementation-dependent
X PCA score plot-50005001,000-2000200400PC1 -349.7 · PC2 -29.33PC1 -345 · PC2 -31.9PC1 100.3 · PC2 284.5PC1 -330.3 · PC2 -20.43PC1 -307.9 · PC2 -31.97PC1 -302.7 · PC2 -27.96PC1 -360.2 · PC2 -16.27PC1 8.64 · PC2 52.89PC1 16.94 · PC2 111.2PC1 -64.5 · PC2 40.83PC1 -62.26 · PC2 49.85PC1 67.63 · PC2 41.26PC1 -345.3 · PC2 -82.61PC1 -270.8 · PC2 -14.64PC1 -335.7 · PC2 -12.62PC1 -357.3 · PC2 -14.63PC1 -352.8 · PC2 -14.34PC1 38.72 · PC2 120.6PC1 -305 · PC2 -0.9795PC1 -397.9 · PC2 -9.341PC1 874.2 · PC2 -26.51PC1 990.1 · PC2 100.1PC1 609.1 · PC2 -25.57PC1 259 · PC2 -127.3PC1 733.7 · PC2 -117.9PC1 406.5 · PC2 -56.49PC1 382.5 · PC2 -140.3PC1 (92.8%)PC2 (3.9%)27 scores
PCA explained variance0%25%50%75%100%PC1: 92.8% (cumulative 92.8%)1PC2: 3.9% (cumulative 96.8%)2PC3: 1.6% (cumulative 98.4%)3PC4: 0.6% (cumulative 99.0%)4PC5: 0.3% (cumulative 99.4%)5PC6: 0.3% (cumulative 99.6%)6PC7: 0.1% (cumulative 99.8%)7PC8: 0.1% (cumulative 99.8%)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 4

material_name

target · categorical
material_name classesBasaltBasalt: 1616PhosphoritePhosphorite: 77BasaniteBasanite: 22Alkali BasaltAlkali Basalt: 22
n / missing27 / 0
Classes4
Balance (entropy)0.75
Imbalance ratio8
Top classBasalt (16)

class_label

target · categorical
class_label classesIgneousIgneous: 2020SedimentarySedimentary: 77
n / missing27 / 0
Classes2
Balance (entropy)0.83
Imbalance ratio3
Top classIgneous (20)

subclass

target · categorical
subclass classesMaficMafic: 2020ShaleShale: 77
n / missing27 / 0
Classes2
Balance (entropy)0.83
Imbalance ratio3
Top classMafic (20)

owner

target · categorical
owner classesLawrence Rowan, USGS RestonLawrence Rowan, USGS Reston: 2020USGSUSGS: 77
n / missing27 / 0
Classes2
Balance (entropy)0.83
Imbalance ratio3
Top classLawrence Rowan, USGS Reston (20)

Metadata 4

ecostress_resource_id

metadata · categorical
n / missing27 / 0
Classes27
Balance (entropy)1
Imbalance ratio1
Top classrock.igneous.mafic.solid.all.me10b.usgs.perknic.spectrum (1)

location

metadata · categorical
location classesSoutheastern IdahoSoutheastern Idaho: 77Middle EastMiddle East: 22Wadi Hasa, South JordanWadi Hasa, South Jordan: 11Jebel, JordanJebel, Jordan: 11Abu Matar, Middle EastAbu Matar, Middle East: 11Kerak Plateau, Middle EastKerak Plateau, Middle East: 11Datras area, Middle EastDatras area, Middle East: 11North Irbrd, JordanNorth Irbrd, Jordan: 11El Hammah, Middle EastEl Hammah, Middle East: 11Small T. Malhata, Middle EastSmall T. Malhata, Middle East: 11+10 more+10 more: 1010
n / missing27 / 0
Classes20
Balance (entropy)0.91
Imbalance ratio7
Top classSoutheastern Idaho (7)

sample_description

metadata · categorical
n / missing27 / 0
Classes27
Balance (entropy)1
Imbalance ratio1
Top classBasalt, fresh surfaceSample was Whole rock chips. Original ASTER Spectral Library name was usgs.perknic.rock.igneous.mafic.solid.me10b.spectrum.txt (1)

notes

metadata · categorical
notes classesnonenone: 77rock.igneous.mafic.solid.all.…rock.igneous.mafic.solid.all.me10b.usgs.perknic.ancillary.txt: 11rock.igneous.mafic.solid.all.…rock.igneous.mafic.solid.all.me11a.usgs.perknic.ancillary.txt: 11rock.igneous.mafic.solid.all.…rock.igneous.mafic.solid.all.me13.usgs.perknic.ancillary.txt: 11rock.igneous.mafic.solid.all.…rock.igneous.mafic.solid.all.me13a.usgs.perknic.ancillary.txt: 11rock.igneous.mafic.solid.all.…rock.igneous.mafic.solid.all.me14b.usgs.perknic.ancillary.txt: 11rock.igneous.mafic.solid.all.…rock.igneous.mafic.solid.all.me15a.usgs.perknic.ancillary.txt: 11rock.igneous.mafic.solid.all.…rock.igneous.mafic.solid.all.me16b.usgs.perknic.ancillary.txt: 11rock.igneous.mafic.solid.all.…rock.igneous.mafic.solid.all.me17.usgs.perknic.ancillary.txt: 11rock.igneous.mafic.solid.all.…rock.igneous.mafic.solid.all.me24.usgs.perknic.ancillary.txt: 11+10 more+10 more: 1010
n / missing27 / 1
Classes20
Balance (entropy)0.91
Imbalance ratio7
Top classnone (7)
Constant metadata 14
  • categoryrock
  • material_typeRock
  • instrumentusgs.perknic
  • acquisition_modeDirectional Hemispherical Reflectance
  • signal_typeReflectance (percent)
  • axis_unitWavelength (micrometers)
  • axis_min0.4
  • axis_max14.05
  • n_points_original2,231
  • 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
Samples27
Observations (total)27
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 hashf0750a2a9d2771cc…
Processing hashdf21fd9e70df6efe…
Metadata hashf44fc0d5fe243dd0…

Load this dataset

# pip install nirs4all-datasets
from nirs4all_datasets import get

# private dataset — export requires a Dataverse token
ds = get("ecostress_rock_all_2231points", token="…")
X, y = ds.x(), ds.y()
print(X.shape, y.shape)

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