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ECOSTRESS mineral all axis adc9f614

ecostress · other

ECOSTRESS mineral all axis adc9f614. 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.
17
samples
2,752
wavelengths
1
sources
3
targets
27
metadata
other
family

Dataset property explorer

Mean profile risk0.57
Highest axisArtefacts locaux · 1.00
Diagnostics8
Sources profiled1
ECOSTRESS mineral all axis adc9f614 property profile0.250.50.751integritynoiseartefactsbaselinePCA outliersreferencerepeatabilitystructureECOSTRESS mineral all axis adc9f614 profileintegrity: 0.00noise: 0.01artefacts: 1.00baseline: 1.00PCA outliers: 0.59reference: 1.00repeatability: 0.00structure: 0.94ECOSTRESS miner…0 center · 1 outer ring · outward = stronger anomaly / heterogeneity signal

Profile axes

Intégrité0.00
Artefacts locaux1.00
Bruit0.01
Outliers PCA0.59
Distance à la référence1.00
Répétabilité0.00
Baseline / forme1.00
Structure multi-régimes0.94
Diagnostic hypotheses00.250.50.751hypothesis scoreSplice / raccord détecteursSplice / raccord détecteurs: 0.750.75Erreur calibration / référenc…Erreur calibration / référence blanche: 0.720.72Fond différentFond différent: 0.650.65Différence de sonde / géométr…Différence de sonde / géométrie: 0.570.57Spectre hors domaine valideSpectre hors domaine valide: 0.570.57Signature VERA25-likeSignature VERA25-like: 0.560.56Erreur interpolation / réécha…Erreur interpolation / rééchantillonnage: 0.550.55Dataset multi-régimesDataset multi-régimes: 0.540.54
DiagnosticScoreForceSignauxInterprétation probable
Splice / raccord détecteursX0.75forteJump rate 1.00, RMS/SAM référence 1.00, SNR non dégradé 1.00Rupture aux jonctions de détecteurs, calibration locale ou sonde différente.
Erreur calibration / référence blancheX0.72moyenneBaseline/mean/area 1.00, RMS/SAM référence 1.00, artefacts locaux 1.00Décalage systématique entre campagnes, instruments ou référence blanche.
Fond différentX0.65moyenneBaseline/mean/area 1.00, RMS/SAM référence 1.00, Mahalanobis / T2 0.59Effet systématique du support, blanc/noir, transflectance ou environnement de mesure.
Différence de sonde / géométrieX0.57moyenneBaseline/mean/area 1.00, RMS/SAM référence 1.00, Mahalanobis / T2 0.59Modification de l'illumination, collecte, angle ou distance sonde-échantillon.
Spectre hors domaine valideX0.57moyenneRMS/SAM référence 1.00, Structure PCA 0.94, Mahalanobis / T2 0.59Variété, espèce, lot ou condition différente mais physiquement plausible.
Signature VERA25-likeX0.56moyenneJump rate 1.00, RMS/SAM référence 1.00, Spike rate 0.71Combinaison possible changement de sonde + splice, amplifiée par géométrie, fond ou calibration.
Erreur interpolation / rééchantillonnageX0.55moyenneJump rate 1.00, SNR normal/élevé 1.00, Noise RMS faible 0.99Artefacts numériques ou traitement spectral incorrect.
Dataset multi-régimesX0.54moyenneRMS/SAM référence 1.00, Structure PCA 0.94, Mahalanobis / T2 0.59Mélange de campagnes, opérateurs, lots, setups ou sous-populations spectrales.

Spectral sources

mineral all

X · other · source instruments vary by sample
mineral all spectra0255075100051015q05-q95 envelopeq25-q75 envelopemedian spectrummedianq25–q75q05–q95wavelength / none13.9none — median 2.369 (q25–q75 1.875–3.337)13.193none — median 2.163 (q25–q75 1.792–3.358)12.554none — median 2.863 (q25–q75 1.978–3.904)12.002none — median 2.843 (q25–q75 2.081–3.698)11.471none — median 3.656 (q25–q75 2.472–4.79)10.985none — median 2.863 (q25–q75 1.875–5.088)10.539none — median 2.74 (q25–q75 2.606–6.695)10.127none — median 3.275 (q25–q75 2.647–4.429)9.765none — median 3.708 (q25–q75 2.596–5.068)9.411none — median 4.192 (q25–q75 3.09–4.553)9.081none — median 4.202 (q25–q75 2.565–7.725)8.774none — median 3.986 (q25–q75 2.184–8.549)8.501none — median 3.739 (q25–q75 2.05–10.4)8.231none — median 2.369 (q25–q75 1.782–4.573)7.978none — median 1.432 (q25–q75 0.865–2.05)7.739none — median 1.411 (q25–q75 0.824–2.853)7.515none — median 2.019 (q25–q75 1.071–3.687)7.314none — median 2.585 (q25–q75 1.37–4.522)7.113none — median 2.431 (q25–q75 1.648–3.317)6.923none — median 2.029 (q25–q75 1.504–5.263)6.743none — median 1.844 (q25–q75 0.937–3.986)6.572none — median 1.339 (q25–q75 0.937–2.317)6.418none — median 1.329 (q25–q75 0.896–2.328)6.263none — median 1.401 (q25–q75 1.112–2.554)6.115none — median 1.349 (q25–q75 1.133–1.792)5.974none — median 1.36 (q25–q75 1.133–3.286)5.84none — median 1.566 (q25–q75 1.267–6.396)5.717none — median 2.421 (q25–q75 1.679–8.652)5.594none — median 2.987 (q25–q75 1.967–10.41)5.476none — median 3.43 (q25–q75 2.74–9.177)5.363none — median 4.007 (q25–q75 2.863–7.509)5.254none — median 4.274 (q25–q75 2.822–11.45)5.155none — median 4.532 (q25–q75 3.038–12.28)5.054none — median 4.583 (q25–q75 3.08–8.075)4.958none — median 4.594 (q25–q75 3.049–10.56)4.865none — median 4.398 (q25–q75 3.1–7.097)4.779none — median 3.718 (q25–q75 2.925–4.995)4.693none — median 4.408 (q25–q75 2.709–5.696)4.61none — median 4.12 (q25–q75 2.647–5.644)4.529none — median 4.151 (q25–q75 2.575–5.572)4.451none — median 4.151 (q25–q75 2.585–4.697)4.38none — median 4.038 (q25–q75 2.956–5.057)4.307none — median 3.904 (q25–q75 3.131–6.53)4.237none — median 4.728 (q25–q75 3.224–9.146)4.169none — median 4.985 (q25–q75 3.286–10.1)4.103none — median 5.397 (q25–q75 3.317–9.27)4.042none — median 6.118 (q25–q75 3.461–8.714)3.98none — median 6.231 (q25–q75 2.936–9.909)3.92none — median 6.88 (q25–q75 2.863–13.76)3.861none — median 7.035 (q25–q75 3.409–16.53)3.805none — median 7.169 (q25–q75 3.533–17.6)3.752none — median 7.035 (q25–q75 3.492–17.92)3.699none — median 6.355 (q25–q75 3.502–17.91)3.647none — median 5.315 (q25–q75 3.43–17.6)3.596none — median 4.542 (q25–q75 3.337–16.46)3.547none — median 4.099 (q25–q75 2.905–15.02)3.502none — median 3.564 (q25–q75 2.637–13.44)3.455none — median 3.378 (q25–q75 2.513–10.74)3.409none — median 3.049 (q25–q75 2.245–9.703)3.365none — median 2.668 (q25–q75 2.173–8.302)3.324none — median 2.41 (q25–q75 2.111–6.86)3.282none — median 2.225 (q25–q75 1.895–5.696)3.241none — median 2.307 (q25–q75 1.72–4.501)3.201none — median 2.266 (q25–q75 1.566–3.914)3.162none — median 2.163 (q25–q75 1.524–3.378)3.126none — median 1.916 (q25–q75 1.339–3.162)3.089none — median 1.916 (q25–q75 1.329–2.812)3.052none — median 1.71 (q25–q75 1.401–2.554)3.017none — median 1.617 (q25–q75 1.288–2.493)2.982none — median 1.545 (q25–q75 1.205–2.554)2.95none — median 1.349 (q25–q75 1.009–2.657)2.917none — median 1.555 (q25–q75 1.071–2.554)2.884none — median 1.38 (q25–q75 0.845–1.905)2.853none — median 1.267 (q25–q75 1.051–2.05)2.821none — median 1.38 (q25–q75 1.04–2.688)2.793none — median 1.514 (q25–q75 1.267–2.4)2.763none — median 1.864 (q25–q75 1.679–4.357)2.734none — median 3.615 (q25–q75 2.802–9.661)2.705none — median 5.747 (q25–q75 4.254–14.59)2.677none — median 7.385 (q25–q75 5.088–18.4)2.651none — median 8.755 (q25–q75 5.953–19.01)2.624none — median 9.96 (q25–q75 6.396–19.05)2.598none — median 10.73 (q25–q75 6.86–19.53)2.572none — median 11.04 (q25–q75 6.963–19.06)2.548none — median 11.1 (q25–q75 6.808–18.36)2.524none — median 11.54 (q25–q75 6.839–17.64)2.498none — median 11.64 (q25–q75 7.269–17.64)2.458none — median 13.53 (q25–q75 6.91–17.06)2.418none — median 14.12 (q25–q75 7.874–20)2.38none — median 15.92 (q25–q75 12.06–24.47)2.34none — median 20.23 (q25–q75 15.39–26.69)2.3none — median 21.95 (q25–q75 17.41–29.07)2.26none — median 19.34 (q25–q75 16.93–26.13)2.22none — median 19.52 (q25–q75 15.84–27.38)2.182none — median 18.63 (q25–q75 14.46–28.83)2.142none — median 16.99 (q25–q75 16.05–30.95)2.102none — median 19.8 (q25–q75 15.34–30.43)2.062none — median 20.76 (q25–q75 14.86–28.51)2.022none — median 17.22 (q25–q75 12.22–27.99)1.984none — median 14.36 (q25–q75 9.856–26.69)1.944none — median 15.02 (q25–q75 10.95–29.91)1.904none — median 24.39 (q25–q75 18.28–32.22)1.864none — median 30.55 (q25–q75 25.12–40.73)1.824none — median 31.04 (q25–q75 25.75–42.7)1.786none — median 29.97 (q25–q75 24.69–39.51)1.746none — median 30.33 (q25–q75 23.69–41.72)1.706none — median 36.71 (q25–q75 24.35–39.66)1.666none — median 37.53 (q25–q75 24.52–40.53)1.628none — median 36.24 (q25–q75 24.78–41.17)1.588none — median 34.66 (q25–q75 25.14–40.33)1.548none — median 31.77 (q25–q75 22.66–36.51)1.508none — median 29.99 (q25–q75 22.2–35.21)1.468none — median 27.4 (q25–q75 20.42–36.65)1.43none — median 31.39 (q25–q75 28–47.37)1.39none — median 47.07 (q25–q75 36.09–60.11)1.35none — median 50.51 (q25–q75 38.81–62.35)1.31none — median 54.49 (q25–q75 40.93–62.77)1.27none — median 53.3 (q25–q75 42.2–62.59)1.232none — median 53.54 (q25–q75 41.47–62.38)1.192none — median 54.53 (q25–q75 40.42–62.41)1.152none — median 56.31 (q25–q75 45.71–68.94)1.112none — median 56.27 (q25–q75 46.74–70.85)1.072none — median 55.96 (q25–q75 47.05–71.47)1.034none — median 55.32 (q25–q75 46.23–69.88)0.994none — median 54.09 (q25–q75 44.58–67.38)0.954none — median 55.31 (q25–q75 46.19–71.3)0.914none — median 58.2 (q25–q75 46.28–71.76)0.874none — median 59.57 (q25–q75 46.67–71.72)0.836none — median 59.42 (q25–q75 46.42–71.16)0.796none — median 59.18 (q25–q75 46.41–70.96)0.756none — median 58.6 (q25–q75 46.17–70.41)0.716none — median 58.37 (q25–q75 45.73–69.82)0.678none — median 57.98 (q25–q75 45.17–69.37)0.638none — median 56.29 (q25–q75 43.92–68.86)0.598none — median 56.38 (q25–q75 38.06–68.1)0.558none — median 56.41 (q25–q75 37.37–66.04)0.518none — median 55.47 (q25–q75 36.54–64.29)0.48none — median 53.53 (q25–q75 35.33–62.62)0.44none — median 51.6 (q25–q75 33.6–60.15)0.4none — median 49.51 (q25–q75 29.62–57.25)

Sampling

Wavelengths2,752
Axis range0.4–13.9 none
Mean spacing0.00491 none
Gridirregular
Observations17

Signal & quality

Value range0.227 – 116
Mean range1.6 – 59.2
Mean level20.5
Area147
PTP57.6
Noise RMS0.030869
SNR6.6e+02
SNR dB6e+01 dB
Dynamic range57.6
Smoothness0.1373
Saturated0.0%
X-outliers5

Integrity & artefacts

NaN ratio0.00%
Inf count0
Zero ratio0.00%
Spike count330
Spike rate0.71%
Jump count696
Jump rate1.49%
Clip fraction0.00%

Shape & reference

Baseline slope-62.88
Curvature RMS0.12898
D1 RMS0.19343
RMS to mean9.7853
RMS p9523.124
SAM to mean0.23053
SAM p950.39016
Affine offset p9515.224
Affine gain p95 Δ0.56572
Affine residual p9512.987
Xcorr lag p9533

Outliers & repeatability

PCA Q p95/median2.8
Hotelling T2 p95/median4.7
Mahalanobis H p95/median2.2
Repeat groups0

Dimensionality (PCA)

Effective rank2.5
PCs → 95% var3
PCs → 99% var6
Top-10 cum. var99.7%
Computed metric scores 29worst 1.00
FamilleMétrique calculéeValeurScoreNiveauInterprétation datasetCauses typiquesCalcul / scoring
Intégrité des donnéesNaN ratiointegrity.nan_ratio0%0.00faibleSpectre completErreur acquisition/exportcount(isnan(X)) / X.sizealert = min(1, nan_ratio / 0.05)
Intégrité des donnéesInf countintegrity.inf_count00.00faibleNormalCalculs invalidescount(isinf(X))alert = min(1, inf_count / 1)
Intégrité des donnéesZero ratiointegrity.zero_ratio0%0.00faibleNormalExport, saturationcount(X == 0) / count(finite X)alert = min(1, zero_ratio / 0.05)
Amplitude globaleMean reflectanceamplitude.mean_reflectance20.5021.00fortValeur 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_curve146.981.00fortValeur 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_peak57.5980.00faibleVariabilité forteSaturationmax(mean_spectrum) - min(mean_spectrum)alert increases when dynamic range is abnormally flat
Amplitude globaleVarianceamplitude.variance545.430.00faibleNormal ou hétérogèneMauvais contactvar(X finite)alert increases when variance/dynamic range is abnormally flat
BruitNoise RMSnoise.noise_rms0.0308690.01faibleStableLampe, détecteurmedian MAD(second derivative) * 1.4826 / sqrt(6)alert = noise_rms / signal_scale, saturated at 5%
BruitSNRnoise.snr664.160.00faibleBon signalAcquisitionmean(abs(X)) / noise_rmsalert decreases with SNR dB; >=40 dB is treated as low alert
BruitBandwise SNRnoise.bandwise_snr_min43.3110.06faibleZone 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_count3300.71moyenArtefactsCosmic rays, splicecount robust outliers in second derivativealert follows spike_rate, saturated at 1%
Artefacts locauxSpike rateartefacts.spike_rate0.706%0.71moyenSpectre suspectInterpolationspike_count / (n_samples * (n_features - 2))alert = min(1, spike_rate / 0.01)
Artefacts locauxJump countartefacts.jump_count6961.00fortRaccord détecteurSplicecount robust outliers in first derivativealert follows jump_rate, saturated at 1%
Artefacts locauxJump rateartefacts.jump_rate1.49%1.00fortProblème spectralCalibrationjump_count / (n_samples * (n_features - 1))alert = min(1, jump_rate / 0.01)
Artefacts locauxClip fractionartefacts.clip_fraction0.00427%0.00faibleNormalDétecteur saturéfraction of finite cells equal to repeated min/max extremaalert = min(1, clip_fraction / 0.01)
Forme spectraleBaseline slopeshape.baseline_slope-62.881.00fortDériveÉclairementlinear slope of mean_spectrum over normalized axisalert = abs(slope / signal_scale), saturated at 0.5
Forme spectraleCurvature RMSshape.curvature_rms0.128980.22faibleLisseFond, splicemedian RMS(second derivative per spectrum)alert = curvature_rms / signal_scale, saturated at 1%
Forme spectraleD1 RMSshape.d1_rms0.193430.07faiblePlatBiologie ou artefactmedian RMS(first derivative per spectrum)alert = d1_rms / signal_scale, saturated at 5%
Outliers multivariésPCA Q (SPE)outliers.pca_q_ratio2.75140.34faibleConformeArtefact, mélangep95(Q/SPE residual) / median(Q/SPE residual)alert = min(1, pca_q_ratio / 8)
Outliers multivariésHotelling T²outliers.hotelling_t2_ratio4.68580.59moyenExtrême mais cohérentVariabilité naturellep95(Hotelling T2) / median(Hotelling T2)alert = min(1, hotelling_t2_ratio / 8)
Outliers multivariésMahalanobis Houtliers.mahalanobis_h_ratio2.16260.54moyenOutlier globalDomaine différentp95(sqrt(T2)) / median(sqrt(T2))alert = min(1, mahalanobis_h_ratio / 4)
Comparaison à référenceRMS to mean spectrumreference.rms_to_mean_spectrum_p9523.1241.00fortSpectre 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_p950.390161.00fortForme 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_density0.00248020.94fortSous-populationsLots différents1 / median kNN distance in PCA score spacealert follows density_cv/profile structure complexity, not raw density alone
Structure du datasetLocal Outlier Factor (LOF)structure.local_outlier_factor_p952.82840.91fortSpectre 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_p950.588750.94fortSpectre atypiqueDiverses causesp95 IsolationForest anomaly score on PCA scoresalert follows structure complexity; raw score is implementation-dependent
X PCA score plot-1,000-50005001,0001,500-1,500-1,000-50005001,000PC1 -659.6 · PC2 224.6PC1 -93.97 · PC2 -43.18PC1 -254.7 · PC2 -128.6PC1 -610.3 · PC2 182.1PC1 -421.8 · PC2 -201.7PC1 -89.4 · PC2 -81.63PC1 305.2 · PC2 -275.7PC1 -129.2 · PC2 -399.5PC1 955.6 · PC2 84.47PC1 225.1 · PC2 -1147PC1 -270.1 · PC2 -24.15PC1 -228.3 · PC2 585.9PC1 827.3 · PC2 285.7PC1 -474.1 · PC2 195.9PC1 -359.5 · PC2 175.2PC1 -48.83 · PC2 266.2PC1 1327 · PC2 301.5PC1 (64.7%)PC2 (30.2%)17 scores
PCA explained variance0%25%50%75%100%PC1: 64.7% (cumulative 64.7%)1PC2: 30.2% (cumulative 94.8%)2PC3: 1.7% (cumulative 96.5%)3PC4: 1.3% (cumulative 97.8%)4PC5: 0.8% (cumulative 98.6%)5PC6: 0.4% (cumulative 99.0%)6PC7: 0.3% (cumulative 99.3%)7PC8: 0.2% (cumulative 99.5%)8PC9: 0.1% (cumulative 99.6%)9PC10: 0.1% (cumulative 99.7%)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
n / missing17 / 0
Classes17
Balance (entropy)1
Imbalance ratio1
Top classGaylussite Na2Ca(CO3)2 * 5H2O (1)

class_label

target · categorical
class_label classesBorateBorate: 88SulfateSulfate: 55CarbonateCarbonate: 22ChlorideChloride: 22
n / missing17 / 0
Classes4
Balance (entropy)0.88
Imbalance ratio4
Top classBorate (8)

owner

target · categorical
owner classesSmithsonian Institute, Nation…Smithsonian Institute, National Museum of Nat. History: 1010USGSUSGS: 77
n / missing17 / 0
Classes2
Balance (entropy)0.98
Imbalance ratio1
Top classSmithsonian Institute, National Museum of Nat. History (10)

Metadata 3

ecostress_resource_id

metadata · categorical
n / missing17 / 0
Classes17
Balance (entropy)1
Imbalance ratio1
Top classmineral.borate.none.coarse.all.nmnh102876-2.usgs.perknic.spectrum (1)

location

metadata · categorical
location classesBoron, CaliforniaBoron, California: 22Searles Lake, CASearles Lake, CA: 11Smithsonian Institute, Nation…Smithsonian Institute, National Museum of Nat. History: 11Kern County, CAKern County, CA: 11SpainSpain: 11Tinclayu, Salta, ArgentinaTinclayu, Salta, Argentina: 11Inyo County, CAInyo County, CA: 11Searles Lake, CaliforniaSearles Lake, California: 11Green River Formation, WyomingGreen River Formation, Wyoming: 11Stassfurt, GermanyStassfurt, Germany: 11+6 more+6 more: 66
n / missing17 / 0
Classes16
Balance (entropy)0.99
Imbalance ratio2
Top classBoron, California (2)

sample_description

metadata · categorical
n / missing17 / 0
Classes17
Balance (entropy)1
Imbalance ratio1
Top classGaylussite powder from Searles Lake, CASample was Unsieved coarse powder. Original ASTER Spectral Library name was usgs.perknic.mineral.borate.none.coarse.gaylusc.spectrum.txt (1)
Constant metadata 15
  • categorymineral
  • material_typeMineral
  • instrumentusgs.perknic
  • acquisition_modeDirectional Hemispherical Reflectance
  • signal_typeReflectance (percent)
  • axis_unitWavelength (micrometers)
  • axis_min0.4
  • axis_max13.9
  • n_points_original2,752
  • 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
  • notesnone

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

Alignment

Alignment levelobservation
Sample id availableyes
Samples17
Observations (total)17
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 hash8b0f2c9c705d1d8d…
Processing hash0f15b7c3a56b7854…
Metadata hashd6d1ff28ca0b0410…

Load this dataset

# pip install nirs4all-datasets
from nirs4all_datasets import get

# private dataset — export requires a Dataverse token
ds = get("ecostress_mineral_all_2752points", token="…")
X, y = ds.x(), ds.y()
print(X.shape, y.shape)

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