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ECOSTRESS rock all axis 1fb6fa59

ecostress · other

ECOSTRESS rock all axis 1fb6fa59. v2.0 standardized NIRS package: 1 spectral source(s), 5 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.
46
samples
2,844
wavelengths
1
sources
5
targets
27
metadata
other
family

Dataset property explorer

Mean profile risk0.59
Highest axisArtefacts locaux · 1.00
Diagnostics8
Sources profiled1
ECOSTRESS rock all axis 1fb6fa59 property profile0.250.50.751integritynoiseartefactsbaselinePCA outliersreferencerepeatabilitystructureECOSTRESS rock all axis 1fb6fa59 profileintegrity: 0.00noise: 0.01artefacts: 1.00baseline: 1.00PCA outliers: 0.70reference: 1.00repeatability: 0.00structure: 1.00ECOSTRESS rock …0 center · 1 outer ring · outward = stronger anomaly / heterogeneity signal

Profile axes

Intégrité0.00
Artefacts locaux1.00
Bruit0.01
Outliers PCA0.70
Distance à la référence1.00
Répétabilité0.00
Baseline / forme1.00
Structure multi-régimes1.00
Diagnostic hypotheses00.250.50.751hypothesis scoreSplice / raccord détecteursSplice / raccord détecteurs: 0.880.88Erreur calibration / référenc…Erreur calibration / référence blanche: 0.760.76Fond différentFond différent: 0.700.70Erreur interpolation / réécha…Erreur interpolation / rééchantillonnage: 0.690.69Signature VERA25-likeSignature VERA25-like: 0.660.66Différence de sonde / géométr…Différence de sonde / géométrie: 0.600.60Dataset multi-régimesDataset multi-régimes: 0.590.59Mélange feuille + fondMélange feuille + fond: 0.530.53
DiagnosticScoreForceSignauxInterprétation probable
Splice / raccord détecteursX0.88forteSpike rate 1.00, Jump rate 1.00, RMS/SAM référence 1.00Rupture aux jonctions de détecteurs, calibration locale ou sonde différente.
Erreur calibration / référence blancheX0.76forteBaseline/mean/area 1.00, RMS/SAM référence 1.00, artefacts locaux 1.00Décalage systématique entre campagnes, instruments ou référence blanche.
Fond différentX0.70moyenneBaseline/mean/area 1.00, RMS/SAM référence 1.00, PCA Q 0.70Effet systématique du support, blanc/noir, transflectance ou environnement de mesure.
Erreur interpolation / rééchantillonnageX0.69moyenneSpike rate 1.00, Jump rate 1.00, SNR normal/élevé 1.00Artefacts numériques ou traitement spectral incorrect.
Signature VERA25-likeX0.66moyenneSpike rate 1.00, Jump rate 1.00, RMS/SAM référence 1.00Combinaison possible changement de sonde + splice, amplifiée par géométrie, fond ou calibration.
Différence de sonde / géométrieX0.60moyenneBaseline/mean/area 1.00, RMS/SAM référence 1.00, PCA Q 0.70Modification de l'illumination, collecte, angle ou distance sonde-échantillon.
Dataset multi-régimesX0.59moyenneStructure PCA 1.00, RMS/SAM référence 1.00, PCA Q 0.70Mélange de campagnes, opérateurs, lots, setups ou sous-populations spectrales.
Mélange feuille + fondX0.53moyenneBaseline/mean/area 1.00, RMS/SAM référence 1.00, PCA Q 0.70Couverture partielle du spot; contribution du fond ou du support.

Spectral sources

rock all

X · other · source instruments vary by sample
rock all spectra020406080051015q05-q95 envelopeq25-q75 envelopemedian spectrummedianq25–q75q05–q95wavelength / none14.011none — median 2.417 (q25–q75 1.806–3.564)13.293none — median 3.266 (q25–q75 2.525–3.876)12.614none — median 3.496 (q25–q75 2.943–4.384)12.028none — median 4.085 (q25–q75 2.766–5.043)11.469none — median 6.028 (q25–q75 3.663–7.291)10.983none — median 7.623 (q25–q75 4.292–9.325)10.515none — median 9.802 (q25–q75 4.442–11.58)10.106none — median 10.37 (q25–q75 5.954–14.82)9.7082none — median 10.82 (q25–q75 7.344–18.28)9.3577none — median 11.31 (q25–q75 8.351–17.47)9.0159none — median 11.02 (q25–q75 6.972–17.19)8.7129none — median 8.117 (q25–q75 5.408–16.25)8.4295none — median 6.648 (q25–q75 4.803–16.64)8.1512none — median 5.483 (q25–q75 2.332–10.72)7.9027none — median 2.359 (q25–q75 1.499–3.832)7.6575none — median 1.562 (q25–q75 1.159–2.438)7.4378none — median 1.718 (q25–q75 1.32–2.228)7.2203none — median 1.853 (q25–q75 1.525–2.465)7.0246none — median 2.173 (q25–q75 1.657–2.938)6.8302none — median 2.302 (q25–q75 1.872–3.132)6.6549none — median 2.491 (q25–q75 1.995–3.447)6.4802none — median 2.512 (q25–q75 2.125–3.592)6.3221none — median 2.339 (q25–q75 2.03–2.995)6.1716none — median 2.259 (q25–q75 1.757–2.707)6.0211none — median 2.233 (q25–q75 1.845–2.757)5.8844none — median 2.391 (q25–q75 1.978–2.93)5.7474none — median 2.535 (q25–q75 2.13–3.178)5.6227none — median 2.646 (q25–q75 2.157–3.402)5.4975none — median 2.852 (q25–q75 2.359–3.6)5.3833none — median 3.186 (q25–q75 2.471–3.891)5.2684none — median 3.384 (q25–q75 2.652–4.099)5.1635none — median 3.764 (q25–q75 3.061–4.491)5.0577none — median 3.989 (q25–q75 3.093–4.775)4.9609none — median 4.298 (q25–q75 3.43–5.158)4.8678none — median 4.987 (q25–q75 4.321–6.201)4.7736none — median 5.463 (q25–q75 4.622–7.014)4.6873none — median 5.808 (q25–q75 4.472–7.176)4.6none — median 6.567 (q25–q75 5.057–8.688)4.5197none — median 7.183 (q25–q75 5.241–9.18)4.4385none — median 7.517 (q25–q75 5.557–9.207)4.3638none — median 8.121 (q25–q75 6.045–11.29)4.288none — median 8.707 (q25–q75 6.436–11.94)4.2182none — median 9.298 (q25–q75 7.074–12.94)4.1506none — median 9.957 (q25–q75 7.567–12.92)4.082none — median 9.692 (q25–q75 7.712–12.57)4.0187none — median 9.499 (q25–q75 5.725–11.75)3.9544none — median 8.889 (q25–q75 5.745–11.6)3.8949none — median 9.347 (q25–q75 5.786–12.2)3.8344none — median 9.678 (q25–q75 5.818–12.26)3.7785none — median 10.55 (q25–q75 7.527–12.69)3.7216none — median 11.55 (q25–q75 7.931–14.43)3.6689none — median 11.52 (q25–q75 7.781–14.92)3.6152none — median 11.52 (q25–q75 7.546–14.03)3.5654none — median 10.19 (q25–q75 7.003–12.58)3.5171none — median 9 (q25–q75 6.109–11.26)3.4677none — median 8.473 (q25–q75 5.284–10.55)3.4219none — median 7.754 (q25–q75 5.089–9.767)3.3751none — median 7.776 (q25–q75 5.281–9.689)3.3317none — median 7.408 (q25–q75 5.669–9.829)3.2874none — median 7.475 (q25–q75 5.664–9.681)3.2462none — median 7.17 (q25–q75 5.286–9.362)3.204none — median 6.756 (q25–q75 4.747–8.841)3.1649none — median 6.067 (q25–q75 4.571–8.395)3.1249none — median 5.537 (q25–q75 4.387–7.927)3.0876none — median 5.221 (q25–q75 4.237–7.66)3.0513none — median 4.996 (q25–q75 4.068–7.465)3.014none — median 4.819 (q25–q75 4.04–7.257)2.9794none — median 4.686 (q25–q75 4.048–7.031)2.9439none — median 4.582 (q25–q75 4.003–7.031)2.9108none — median 4.68 (q25–q75 4.038–7.205)2.8769none — median 4.86 (q25–q75 4.1–7.493)2.8453none — median 5.059 (q25–q75 4.164–7.719)2.8129none — median 5.325 (q25–q75 4.153–7.775)2.7827none — median 5.388 (q25–q75 3.982–7.845)2.7517none — median 5.586 (q25–q75 4.072–7.889)2.7228none — median 6.709 (q25–q75 5.022–9.519)2.6945none — median 10.87 (q25–q75 8.191–12.75)2.6654none — median 14.18 (q25–q75 9.784–17.05)2.6382none — median 14.63 (q25–q75 10.31–17.9)2.6103none — median 14.67 (q25–q75 10.43–18.25)2.5843none — median 14.69 (q25–q75 10.46–18.62)2.5575none — median 14.68 (q25–q75 10.36–18.88)2.5326none — median 14.38 (q25–q75 10.22–18.64)2.5068none — median 14.63 (q25–q75 10.39–19.05)2.4828none — median 14.55 (q25–q75 10.49–19.07)2.4581none — median 14.58 (q25–q75 10.55–19.36)2.435none — median 14.72 (q25–q75 10.54–19.48)2.4124none — median 15 (q25–q75 10.47–19.44)2.389none — median 14.9 (q25–q75 10.42–19.74)2.3672none — median 15.15 (q25–q75 10.28–19.93)2.3447none — median 14.67 (q25–q75 10.22–19.61)2.3237none — median 14.91 (q25–q75 10.19–20.23)2.302none — median 15.72 (q25–q75 10.15–21.38)2.2818none — median 16.15 (q25–q75 10.11–21.76)2.2609none — median 16.04 (q25–q75 10.14–21.83)2.2413none — median 15.78 (q25–q75 10.09–22.31)2.2211none — median 15.78 (q25–q75 10.13–22.29)2.2023none — median 15.8 (q25–q75 10.06–22.33)2.1837none — median 16.41 (q25–q75 10.15–22.63)2.1646none — median 16.45 (q25–q75 10.11–23.02)2.1466none — median 16.47 (q25–q75 10.13–23.33)2.1281none — median 16.44 (q25–q75 10.15–23.39)2.1108none — median 16.49 (q25–q75 10.19–23.41)2.0929none — median 16.53 (q25–q75 10.25–23.55)2.064none — median 16.61 (q25–q75 10.3–23.72)1.98none — median 16.37 (q25–q75 10.64–22.91)1.9none — median 15.93 (q25–q75 10.08–22.98)1.82none — median 16.45 (q25–q75 11.07–26.85)1.736none — median 16.39 (q25–q75 11.32–27.23)1.656none — median 16.33 (q25–q75 11.39–26.85)1.572none — median 16.04 (q25–q75 11.1–25.4)1.492none — median 15.69 (q25–q75 10.47–25.17)1.408none — median 15.39 (q25–q75 10.45–24.59)1.328none — median 15.77 (q25–q75 10.36–26.18)1.244none — median 15.27 (q25–q75 9.923–26.29)1.164none — median 14.99 (q25–q75 9.418–26.72)1.08none — median 14.69 (q25–q75 9.375–27.02)1none — median 14.91 (q25–q75 9.379–26.95)0.92none — median 15.43 (q25–q75 9.815–26.08)0.836none — median 16.35 (q25–q75 10.5–25.93)0.789none — median 17 (q25–q75 11.07–26.59)0.768none — median 17.39 (q25–q75 11.32–26.8)0.748none — median 17.39 (q25–q75 11.1–26.32)0.727none — median 17.44 (q25–q75 11.18–26.39)0.707none — median 16.98 (q25–q75 11.16–26.05)0.686none — median 16.87 (q25–q75 11.15–25.89)0.666none — median 16.62 (q25–q75 11.09–26.24)0.645none — median 16.14 (q25–q75 11.03–26.15)0.625none — median 15.97 (q25–q75 11.07–26.39)0.605none — median 16.34 (q25–q75 11.18–25.23)0.584none — median 16.89 (q25–q75 11.05–24.3)0.564none — median 16.61 (q25–q75 10.9–24.09)0.543none — median 16.42 (q25–q75 10.41–23.66)0.523none — median 16.35 (q25–q75 10.24–23.62)0.502none — median 15.9 (q25–q75 9.653–23.31)0.482none — median 15.12 (q25–q75 9.51–21.86)0.461none — median 15.15 (q25–q75 9.01–20.72)0.441none — median 14.18 (q25–q75 8.565–19.41)0.42none — median 13.58 (q25–q75 7.965–17.91)0.4none — median 12.69 (q25–q75 7.188–16.69)

Sampling

Wavelengths2,844
Axis range0.4–14.01 none
Mean spacing0.00479 none
Gridirregular
Observations46

Signal & quality

Value range0.0774 – 89.3
Mean range2.23 – 23.3
Mean level12.68
Area119.5
PTP21.09
Noise RMS0.015479
SNR8.2e+02
SNR dB6e+01 dB
Dynamic range21.1
Smoothness0.1227
Saturated0.0%
X-outliers15

Integrity & artefacts

NaN ratio0.00%
Inf count0
Zero ratio0.00%
Spike count10,663
Spike rate8.16%
Jump count3,027
Jump rate2.31%
Clip fraction0.00%

Shape & reference

Baseline slope-22.106
Curvature RMS0.12629
D1 RMS0.11131
RMS to mean5.9382
RMS p9519.23
SAM to mean0.26331
SAM p950.49379
Affine offset p9511.734
Affine gain p95 Δ1.8765
Affine residual p958.3791
Xcorr lag p9535

Outliers & repeatability

PCA Q p95/median5.6
Hotelling T2 p95/median3.5
Mahalanobis H p95/median1.9
Repeat groups0

Dimensionality (PCA)

Effective rank2
PCs → 95% var4
PCs → 99% var8
Top-10 cum. var99.5%
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_reflectance12.6841.00fortValeur 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_curve119.541.00fortValeur 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_peak21.0860.00faibleVariabilité forteSaturationmax(mean_spectrum) - min(mean_spectrum)alert increases when dynamic range is abnormally flat
Amplitude globaleVarianceamplitude.variance152.120.00faibleNormal ou hétérogèneMauvais contactvar(X finite)alert increases when variance/dynamic range is abnormally flat
BruitNoise RMSnoise.noise_rms0.0154790.01faibleStableLampe, détecteurmedian MAD(second derivative) * 1.4826 / sqrt(6)alert = noise_rms / signal_scale, saturated at 5%
BruitSNRnoise.snr819.440.00faibleBon signalAcquisitionmean(abs(X)) / noise_rmsalert decreases with SNR dB; >=40 dB is treated as low alert
BruitBandwise SNRnoise.bandwise_snr_min13.2690.36faibleZone 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_count10,6631.00fortArtefactsCosmic rays, splicecount robust outliers in second derivativealert follows spike_rate, saturated at 1%
Artefacts locauxSpike rateartefacts.spike_rate8.16%1.00fortSpectre suspectInterpolationspike_count / (n_samples * (n_features - 2))alert = min(1, spike_rate / 0.01)
Artefacts locauxJump countartefacts.jump_count3,0271.00fortRaccord détecteurSplicecount robust outliers in first derivativealert follows jump_rate, saturated at 1%
Artefacts locauxJump rateartefacts.jump_rate2.31%1.00fortProblème spectralCalibrationjump_count / (n_samples * (n_features - 1))alert = min(1, jump_rate / 0.01)
Artefacts locauxClip fractionartefacts.clip_fraction0.00153%0.00faibleNormalDétecteur saturéfraction of finite cells equal to repeated min/max extremaalert = min(1, clip_fraction / 0.01)
Forme spectraleBaseline slopeshape.baseline_slope-22.1061.00fortDériveÉclairementlinear slope of mean_spectrum over normalized axisalert = abs(slope / signal_scale), saturated at 0.5
Forme spectraleCurvature RMSshape.curvature_rms0.126290.60moyenForme inhabituelleFond, splicemedian RMS(second derivative per spectrum)alert = curvature_rms / signal_scale, saturated at 1%
Forme spectraleD1 RMSshape.d1_rms0.111310.11faiblePlatBiologie ou artefactmedian RMS(first derivative per spectrum)alert = d1_rms / signal_scale, saturated at 5%
Outliers multivariésPCA Q (SPE)outliers.pca_q_ratio5.63540.70moyenSpectre atypiqueArtefact, mélangep95(Q/SPE residual) / median(Q/SPE residual)alert = min(1, pca_q_ratio / 8)
Outliers multivariésHotelling T²outliers.hotelling_t2_ratio3.51980.44moyenExtrême mais cohérentVariabilité naturellep95(Hotelling T2) / median(Hotelling T2)alert = min(1, hotelling_t2_ratio / 8)
Outliers multivariésMahalanobis Houtliers.mahalanobis_h_ratio1.87670.47moyenOutlier globalDomaine différentp95(sqrt(T2)) / median(sqrt(T2))alert = min(1, mahalanobis_h_ratio / 4)
Comparaison à référenceRMS to mean spectrumreference.rms_to_mean_spectrum_p9519.231.00fortSpectre 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_p950.493791.00fortForme 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_density0.00649771.00fortSous-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_p953.81091.00fortSpectre 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_p950.590311.00fortSpectre atypiqueDiverses causesp95 IsolationForest anomaly score on PCA scoresalert follows structure complexity; raw score is implementation-dependent
X PCA score plot-1,00001,0002,000-1,000-5000500PC1 -191.2 · PC2 -38.53PC1 89.18 · PC2 42.54PC1 -63.49 · PC2 -59.45PC1 177.4 · PC2 -93.77PC1 221 · PC2 290.2PC1 -119.8 · PC2 -90.83PC1 -365.5 · PC2 -54.17PC1 -189.2 · PC2 101.8PC1 -137.2 · PC2 -38.54PC1 -428 · PC2 -83.2PC1 132.7 · PC2 -72.87PC1 -531.9 · PC2 -20.56PC1 261.8 · PC2 -13.88PC1 -262.1 · PC2 -42.45PC1 57.54 · PC2 -31.81PC1 -212.7 · PC2 -58.5PC1 -209.9 · PC2 -87.91PC1 -581 · PC2 -43.45PC1 -287.7 · PC2 -25.58PC1 -425 · PC2 -20.67PC1 -357.1 · PC2 -43.82PC1 -197.3 · PC2 -93.17PC1 -272.7 · PC2 -91.93PC1 -461.9 · PC2 -54.67PC1 183.5 · PC2 -88.47PC1 -422.7 · PC2 -59.86PC1 15.77 · PC2 -84.5PC1 -274.5 · PC2 93.88PC1 -311 · PC2 47.46PC1 -1.016 · PC2 -33.53PC1 652.6 · PC2 284PC1 1902 · PC2 -603.1PC1 882.1 · PC2 474.4PC1 -105.5 · PC2 -37.02PC1 93.88 · PC2 266.3PC1 -486 · PC2 -75.62PC1 829.8 · PC2 136.7PC1 1338 · PC2 -98.6PC1 968.8 · PC2 266.3PC1 -54.04 · PC2 107.5PC1 -152.3 · PC2 103PC1 -132.4 · PC2 41.18PC1 406.8 · PC2 17.53PC1 -420.4 · PC2 -15.63PC1 -171.1 · PC2 -4.748PC1 -387.7 · PC2 -12.1PC1 (84.2%)PC2 (7.9%)46 scores
PCA explained variance0%25%50%75%100%PC1: 84.2% (cumulative 84.2%)1PC2: 7.9% (cumulative 92.1%)2PC3: 2.7% (cumulative 94.8%)3PC4: 1.8% (cumulative 96.6%)4PC5: 1.0% (cumulative 97.7%)5PC6: 0.7% (cumulative 98.3%)6PC7: 0.4% (cumulative 98.8%)7PC8: 0.4% (cumulative 99.1%)8PC9: 0.3% (cumulative 99.4%)9PC10: 0.1% (cumulative 99.5%)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 5

material_name

target · categorical
material_name classesBasaltBasalt: 55GraniteGranite: 33GranodioriteGranodiorite: 22DiabaseDiabase: 22NoriteNorite: 22PicritePicrite: 22Alkalic GraniteAlkalic Granite: 11RhyoliteRhyolite: 11Augite-hypersthene AndesiteAugite-hypersthene Andesite: 11Basaltic AndesiteBasaltic Andesite: 11+10 more+10 more: 1010
n / missing46 / 0
Classes36
Balance (entropy)0.97
Imbalance ratio5
Top classBasalt (5)

class_label

target · categorical
class_label classesIgneousIgneous: 3030SedimentarySedimentary: 1010MetamorphicMetamorphic: 66
n / missing46 / 0
Classes3
Balance (entropy)0.8
Imbalance ratio5
Top classIgneous (30)

subclass

target · categorical
subclass classesMaficMafic: 1111IntermediateIntermediate: 1010FelsicFelsic: 55UltramaficUltramafic: 44SandstoneSandstone: 44ShaleShale: 44SlateSlate: 33LimestoneLimestone: 22GneisGneis: 11MarbleMarble: 11+1 more+1 more: 11
n / missing46 / 0
Classes11
Balance (entropy)0.88
Imbalance ratio11
Top classMafic (11)

particle_size

target · categorical
particle_size classesSolidSolid: 3030CoarseCoarse: 1616
n / missing46 / 0
Classes2
Balance (entropy)0.93
Imbalance ratio2
Top classSolid (30)

measurement

target · categorical
measurement classesDirectional (10 degree) hemis…Directional (10 degree) hemispherical reflectance: 3030Directional (10 Degree) Hemis…Directional (10 Degree) Hemispherical Reflectance: 1616
n / missing46 / 0
Classes2
Balance (entropy)0.93
Imbalance ratio2
Top classDirectional (10 degree) hemispherical reflectance (30)

Metadata 5

ecostress_resource_id

metadata · categorical
n / missing46 / 0
Classes46
Balance (entropy)1
Imbalance ratio1
Top classrock.igneous.felsic.solid.all.granite_h1.jhu.becknic.spectrum (1)

location

metadata · categorical
n / missing46 / 0
Classes46
Balance (entropy)1
Imbalance ratio1
Top classFrom Quincy, Norfolk, Massachusetts via Ward's Scientific (Cat.No. W-4) (1)

sample_description

metadata · categorical
n / missing46 / 0
Classes46
Balance (entropy)1
Imbalance ratio1
Top classA gray, medium- to coarse-grained rock composed of quartz, feldspar, and a mafic mineral. Original ASTER Spectral Library name was jhu.becknic.rock.igneous.felsic.solid.granit1.spectrum.txt (1)

acquisition_mode

metadata · categorical
acquisition_mode classesDirectional (10 degree) hemis…Directional (10 degree) hemispherical reflectance: 3030Directional (10 Degree) Hemis…Directional (10 Degree) Hemispherical Reflectance: 1616
n / missing46 / 0
Classes2
Balance (entropy)0.93
Imbalance ratio2
Top classDirectional (10 degree) hemispherical reflectance (30)

notes

metadata · categorical
notes classesnonenone: 1515rock.igneous.felsic.solid.all…rock.igneous.felsic.solid.all.granite_h1.jhu.becknic.ancillary.txt: 11rock.igneous.felsic.solid.all…rock.igneous.felsic.solid.all.granite_h2.jhu.becknic.ancillary.txt: 11rock.igneous.felsic.solid.all…rock.igneous.felsic.solid.all.granite_h3.jhu.becknic.ancillary.txt: 11rock.igneous.felsic.solid.all…rock.igneous.felsic.solid.all.granite_h5.jhu.becknic.ancillary.txt: 11rock.igneous.felsic.solid.all…rock.igneous.felsic.solid.all.rhyolite_h1.jhu.becknic.ancillary.txt: 11rock.igneous.intermediate.sol…rock.igneous.intermediate.solid.all.andesite_h2.jhu.becknic.ancillary.txt: 11rock.igneous.intermediate.sol…rock.igneous.intermediate.solid.all.andesite_h4.jhu.becknic.ancillary.txt: 11rock.igneous.intermediate.sol…rock.igneous.intermediate.solid.all.diorite_h1.jhu.becknic.ancillary.txt: 11rock.igneous.intermediate.sol…rock.igneous.intermediate.solid.all.granodior_h1.jhu.becknic.ancillary.txt: 11+10 more+10 more: 1010
n / missing46 / 0
Classes32
Balance (entropy)0.85
Imbalance ratio15
Top classnone (15)
Constant metadata 13
  • categoryrock
  • material_typerock
  • instrumentjhu.becknic
  • signal_typeReflectance (percent)
  • axis_unitWavelength (micrometers)
  • axis_min0.4
  • axis_max14.01
  • n_points_original2,844
  • 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
Samples46
Observations (total)46
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 hash9dff635484dd0267…
Processing hash36006d674c6ef0f0…
Metadata hash3138fa4b3284c2bb…

Load this dataset

# pip install nirs4all-datasets
from nirs4all_datasets import get

# private dataset — export requires a Dataverse token
ds = get("ecostress_rock_all_2844points_46rows", token="…")
X, y = ds.x(), ds.y()
print(X.shape, y.shape)

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