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ECOSTRESS manmade all axis 21e24555

ecostress · other

ECOSTRESS manmade all axis 21e24555. 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.
14
samples
491
wavelengths
1
sources
3
targets
27
metadata
other
family

Dataset property explorer

Mean profile risk0.63
Highest axisArtefacts locaux · 1.00
Diagnostics8
Sources profiled1
ECOSTRESS manmade all axis 21e24555 property profile0.250.50.751integritynoiseartefactsbaselinePCA outliersreferencerepeatabilitystructureECOSTRESS manmade all axis 21e24555 profileintegrity: 0.00noise: 0.02artefacts: 1.00baseline: 1.00PCA outliers: 1.00reference: 1.00repeatability: 0.00structure: 1.00ECOSTRESS manma…0 center · 1 outer ring · outward = stronger anomaly / heterogeneity signal

Profile axes

Intégrité0.00
Artefacts locaux1.00
Bruit0.02
Outliers PCA1.00
Distance à la référence1.00
Répétabilité0.00
Baseline / forme1.00
Structure multi-régimes1.00
Diagnostic hypotheses00.250.50.751hypothesis scoreSplice / raccord détecteursSplice / raccord détecteurs: 0.940.94Erreur calibration / référenc…Erreur calibration / référence blanche: 0.850.85Fond différentFond différent: 0.790.79Erreur interpolation / réécha…Erreur interpolation / rééchantillonnage: 0.780.78Signature VERA25-likeSignature VERA25-like: 0.760.76Différence de sonde / géométr…Différence de sonde / géométrie: 0.690.69Dataset multi-régimesDataset multi-régimes: 0.680.68Spectre hors domaine valideSpectre hors domaine valide: 0.650.65
DiagnosticScoreForceSignauxInterprétation probable
Splice / raccord détecteursX0.94fortePCA Q 1.00, Spike rate 1.00, Jump rate 1.00Rupture aux jonctions de détecteurs, calibration locale ou sonde différente.
Erreur calibration / référence blancheX0.85fortePCA Q 1.00, Baseline/mean/area 1.00, RMS/SAM référence 1.00Décalage systématique entre campagnes, instruments ou référence blanche.
Fond différentX0.79fortePCA Q 1.00, Baseline/mean/area 1.00, RMS/SAM référence 1.00Effet systématique du support, blanc/noir, transflectance ou environnement de mesure.
Erreur interpolation / rééchantillonnageX0.78fortePCA Q 1.00, Spike rate 1.00, Jump rate 1.00Artefacts numériques ou traitement spectral incorrect.
Signature VERA25-likeX0.76fortePCA Q 1.00, Spike rate 1.00, Jump rate 1.00Combinaison possible changement de sonde + splice, amplifiée par géométrie, fond ou calibration.
Différence de sonde / géométrieX0.69moyennePCA Q 1.00, Baseline/mean/area 1.00, RMS/SAM référence 1.00Modification de l'illumination, collecte, angle ou distance sonde-échantillon.
Dataset multi-régimesX0.68moyenneStructure PCA 1.00, RMS/SAM référence 1.00, PCA Q 1.00Mélange de campagnes, opérateurs, lots, setups ou sous-populations spectrales.
Spectre hors domaine valideX0.65moyenneRMS/SAM référence 1.00, Structure PCA 1.00, Mahalanobis / T2 0.77Variété, espèce, lot ou condition différente mais physiquement plausible.

Spectral sources

manmade all

X · other · source instruments vary by sample
manmade all spectra0204060051015q05-q95 envelopeq25-q75 envelopemedian spectrummedianq25–q75q05–q95wavelength / none0.42none — median 7.115 (q25–q75 3.952–18.05)0.428none — median 6.655 (q25–q75 4.598–19.39)0.434none — median 6.614 (q25–q75 4.642–20.11)0.442none — median 6.692 (q25–q75 4.661–21.9)0.448none — median 6.723 (q25–q75 4.626–23.08)0.456none — median 6.768 (q25–q75 4.587–24.4)0.462none — median 6.788 (q25–q75 4.59–25.17)0.47none — median 6.811 (q25–q75 4.599–25.89)0.476none — median 6.829 (q25–q75 4.582–26.22)0.484none — median 6.882 (q25–q75 4.574–26.61)0.49none — median 6.921 (q25–q75 4.576–26.99)0.498none — median 6.968 (q25–q75 4.554–27.57)0.504none — median 6.994 (q25–q75 4.557–27.99)0.512none — median 7.049 (q25–q75 4.542–28.54)0.518none — median 7.094 (q25–q75 4.538–28.96)0.526none — median 7.134 (q25–q75 4.532–29.46)0.532none — median 7.182 (q25–q75 4.543–29.91)0.54none — median 7.232 (q25–q75 4.544–30.48)0.546none — median 7.256 (q25–q75 4.522–30.83)0.554none — median 7.268 (q25–q75 4.506–31.22)0.562none — median 7.302 (q25–q75 4.529–31.72)0.568none — median 7.283 (q25–q75 4.498–32)0.576none — median 7.653 (q25–q75 4.475–32.38)0.582none — median 7.769 (q25–q75 4.448–32.61)0.59none — median 7.827 (q25–q75 4.445–32.9)0.596none — median 7.817 (q25–q75 4.408–33.03)0.604none — median 8.234 (q25–q75 4.382–33.17)0.61none — median 8.224 (q25–q75 4.367–33.27)0.618none — median 8.378 (q25–q75 4.363–33.35)0.624none — median 8.431 (q25–q75 4.353–33.39)0.632none — median 8.398 (q25–q75 4.372–33.46)0.638none — median 8.476 (q25–q75 4.379–33.5)0.646none — median 8.468 (q25–q75 4.372–33.62)0.652none — median 8.616 (q25–q75 4.383–33.69)0.66none — median 8.778 (q25–q75 4.375–33.81)0.666none — median 8.837 (q25–q75 4.387–33.94)0.674none — median 9.022 (q25–q75 4.373–34.06)0.68none — median 9.046 (q25–q75 4.322–34.1)0.688none — median 9.132 (q25–q75 4.341–34.26)0.694none — median 9.198 (q25–q75 4.344–34.31)0.702none — median 9.256 (q25–q75 4.343–34.43)0.71none — median 9.34 (q25–q75 4.344–34.54)0.716none — median 9.389 (q25–q75 4.343–34.66)0.724none — median 9.491 (q25–q75 4.351–34.78)0.73none — median 9.565 (q25–q75 4.355–34.87)0.738none — median 9.626 (q25–q75 4.361–34.98)0.744none — median 9.695 (q25–q75 4.355–35.06)0.752none — median 9.774 (q25–q75 4.364–35.14)0.758none — median 9.835 (q25–q75 4.369–35.2)0.766none — median 9.925 (q25–q75 4.382–35.26)0.772none — median 9.979 (q25–q75 4.381–35.3)0.78none — median 10.05 (q25–q75 4.383–35.31)0.786none — median 10.11 (q25–q75 4.377–35.32)0.794none — median 10.17 (q25–q75 4.391–35.33)0.8none — median 10.22 (q25–q75 4.405–35.4)0.88none — median 10.82 (q25–q75 4.469–35.62)0.94none — median 11.22 (q25–q75 4.524–35.11)1.02none — median 11.7 (q25–q75 4.528–34.6)1.08none — median 12.01 (q25–q75 4.526–34.5)1.16none — median 12.55 (q25–q75 4.579–34.37)1.24none — median 13.07 (q25–q75 4.694–34.34)1.3none — median 13.32 (q25–q75 4.637–34.08)1.38none — median 13.79 (q25–q75 4.732–34.43)1.44none — median 14.18 (q25–q75 4.686–34.07)1.52none — median 14.24 (q25–q75 4.678–35.17)1.58none — median 14.38 (q25–q75 4.705–35.75)1.66none — median 14.41 (q25–q75 4.679–36.15)1.72none — median 14.34 (q25–q75 4.686–36.04)1.8none — median 14.46 (q25–q75 4.742–36.45)1.86none — median 14.73 (q25–q75 4.895–36.07)1.94none — median 14.84 (q25–q75 4.911–28.22)2none — median 14.68 (q25–q75 4.926–29.81)2.08none — median 14.72 (q25–q75 5.01–31.53)2.14none — median 14.69 (q25–q75 5.121–31.58)2.22none — median 14.37 (q25–q75 5.188–30.17)2.28none — median 13.47 (q25–q75 5.175–29.15)2.36none — median 13.05 (q25–q75 5.217–27.28)2.42none — median 13.32 (q25–q75 5.259–25.66)2.5none — median 12.41 (q25–q75 5.352–20.75)2.56none — median 12.82 (q25–q75 5.446–21.35)2.64none — median 13.28 (q25–q75 5.442–19.89)2.72none — median 7.09 (q25–q75 5.367–7.992)2.78none — median 4.857 (q25–q75 4.2–5.469)2.86none — median 4.488 (q25–q75 3.923–5.19)2.92none — median 4.269 (q25–q75 3.9–5.01)3none — median 4.369 (q25–q75 3.919–4.966)3.06none — median 4.502 (q25–q75 3.937–5.011)3.14none — median 4.84 (q25–q75 4.372–5.407)3.2none — median 5.257 (q25–q75 4.388–5.922)3.28none — median 5.368 (q25–q75 4.266–6.538)3.34none — median 4.704 (q25–q75 4.052–6.082)3.42none — median 4.326 (q25–q75 3.833–4.54)3.48none — median 4.306 (q25–q75 3.948–4.777)3.56none — median 6.047 (q25–q75 5.063–7.121)3.62none — median 6.898 (q25–q75 5.163–7.989)3.7none — median 7.122 (q25–q75 5.23–8.416)3.76none — median 7.122 (q25–q75 5.255–8.462)3.84none — median 6.296 (q25–q75 4.915–7.107)3.9none — median 6.173 (q25–q75 4.753–7.068)3.98none — median 4.857 (q25–q75 4.41–6.686)4.06none — median 6.927 (q25–q75 5.265–8.836)4.12none — median 7.091 (q25–q75 5.471–9.302)4.2none — median 7.384 (q25–q75 5.456–9.455)4.26none — median 7.398 (q25–q75 5.418–9.326)4.34none — median 7.423 (q25–q75 5.346–9.246)4.4none — median 7.296 (q25–q75 5.287–9.121)4.48none — median 6.646 (q25–q75 5.19–8.685)4.54none — median 6.544 (q25–q75 5.228–8.877)4.62none — median 6.125 (q25–q75 5.179–8.67)4.68none — median 5.558 (q25–q75 5.056–7.966)4.76none — median 6.502 (q25–q75 5.049–8.595)4.82none — median 6.41 (q25–q75 4.971–8.48)4.9none — median 5.795 (q25–q75 4.952–7.949)4.96none — median 5.36 (q25–q75 4.732–7.837)5.2none — median 5.133 (q25–q75 4.429–7.113)5.5none — median 4.31 (q25–q75 3.602–4.877)5.9none — median 3.29 (q25–q75 2.448–5.033)6.2none — median 3.531 (q25–q75 2.275–4.554)6.6none — median 4.979 (q25–q75 3.948–7.352)6.9none — median 4.283 (q25–q75 3.757–5.786)7.3none — median 3.937 (q25–q75 3.691–4.531)7.7none — median 3.802 (q25–q75 3.252–5.233)8none — median 4.99 (q25–q75 4.728–6.505)8.4none — median 4.807 (q25–q75 4.099–7.655)8.7none — median 4.384 (q25–q75 4.189–7.525)9.1none — median 5.4 (q25–q75 4.672–7.237)9.4none — median 6.533 (q25–q75 4.923–6.886)9.8none — median 5.88 (q25–q75 4.358–6.298)10.1none — median 5.321 (q25–q75 4.272–6.122)10.5none — median 4.923 (q25–q75 4.174–6.67)10.8none — median 5.028 (q25–q75 3.909–6.602)11.2none — median 5.151 (q25–q75 4.21–6.486)11.5none — median 5.135 (q25–q75 3.649–6.551)11.9none — median 4.217 (q25–q75 3.084–6.025)12.2none — median 3.703 (q25–q75 2.603–5.734)12.6none — median 4.286 (q25–q75 3.451–5.323)12.9none — median 4.279 (q25–q75 3.635–5.356)13.3none — median 3.819 (q25–q75 3.172–4.987)13.6none — median 3.884 (q25–q75 2.849–5.239)14none — median 3.544 (q25–q75 2.061–4.933)

Sampling

Wavelengths491
Axis range0.42–14 none
Mean spacing0.0277 none
Gridirregular
Observations14

Signal & quality

Value range1.07 – 87.9
Mean range3.47 – 22.7
Mean level13.1
Area103.8
PTP19.21
Noise RMS0.023363
SNR5.6e+02
SNR dB5e+01 dB
Dynamic range19.2
Smoothness0.398
Saturated0.0%
X-outliers4

Integrity & artefacts

NaN ratio0.00%
Inf count0
Zero ratio0.00%
Spike count417
Spike rate6.09%
Jump count322
Jump rate4.69%
Clip fraction0.03%

Shape & reference

Baseline slope-19.332
Curvature RMS0.31213
D1 RMS0.32713
RMS to mean10.742
RMS p9519.17
SAM to mean0.29821
SAM p950.61145
Affine offset p9511.175
Affine gain p95 Δ1.8834
Affine residual p956.1262
Xcorr lag p9549

Outliers & repeatability

PCA Q p95/median8.4
Hotelling T2 p95/median6.1
Mahalanobis H p95/median2.3
Repeat groups0

Dimensionality (PCA)

Effective rank1.3
PCs → 95% var2
PCs → 99% var3
Top-10 cum. var100.0%
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_reflectance13.0951.00fortValeur 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_curve103.791.00fortValeur 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_peak19.2110.00faibleVariabilité forteSaturationmax(mean_spectrum) - min(mean_spectrum)alert increases when dynamic range is abnormally flat
Amplitude globaleVarianceamplitude.variance212.570.00faibleNormal ou hétérogèneMauvais contactvar(X finite)alert increases when variance/dynamic range is abnormally flat
BruitNoise RMSnoise.noise_rms0.0233630.02faibleStableLampe, détecteurmedian MAD(second derivative) * 1.4826 / sqrt(6)alert = noise_rms / signal_scale, saturated at 5%
BruitSNRnoise.snr560.520.00faibleBon signalAcquisitionmean(abs(X)) / noise_rmsalert decreases with SNR dB; >=40 dB is treated as low alert
BruitBandwise SNRnoise.bandwise_snr_min7.52670.50moyenZone problématiqueDétecteurmin(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_count4171.00fortArtefactsCosmic rays, splicecount robust outliers in second derivativealert follows spike_rate, saturated at 1%
Artefacts locauxSpike rateartefacts.spike_rate6.09%1.00fortSpectre suspectInterpolationspike_count / (n_samples * (n_features - 2))alert = min(1, spike_rate / 0.01)
Artefacts locauxJump countartefacts.jump_count3221.00fortRaccord détecteurSplicecount robust outliers in first derivativealert follows jump_rate, saturated at 1%
Artefacts locauxJump rateartefacts.jump_rate4.69%1.00fortProblème spectralCalibrationjump_count / (n_samples * (n_features - 1))alert = min(1, jump_rate / 0.01)
Artefacts locauxClip fractionartefacts.clip_fraction0.0291%0.03faibleNormalDétecteur saturéfraction of finite cells equal to repeated min/max extremaalert = min(1, clip_fraction / 0.01)
Forme spectraleBaseline slopeshape.baseline_slope-19.3321.00fortDériveÉclairementlinear slope of mean_spectrum over normalized axisalert = abs(slope / signal_scale), saturated at 0.5
Forme spectraleCurvature RMSshape.curvature_rms0.312131.00fortForme inhabituelleFond, splicemedian RMS(second derivative per spectrum)alert = curvature_rms / signal_scale, saturated at 1%
Forme spectraleD1 RMSshape.d1_rms0.327130.34faiblePlatBiologie ou artefactmedian RMS(first derivative per spectrum)alert = d1_rms / signal_scale, saturated at 5%
Outliers multivariésPCA Q (SPE)outliers.pca_q_ratio8.3991.00fortSpectre atypiqueArtefact, mélangep95(Q/SPE residual) / median(Q/SPE residual)alert = min(1, pca_q_ratio / 8)
Outliers multivariésHotelling T²outliers.hotelling_t2_ratio6.13840.77fortExtrême mais cohérentVariabilité naturellep95(Hotelling T2) / median(Hotelling T2)alert = min(1, hotelling_t2_ratio / 8)
Outliers multivariésMahalanobis Houtliers.mahalanobis_h_ratio2.3490.59moyenOutlier globalDomaine différentp95(sqrt(T2)) / median(sqrt(T2))alert = min(1, mahalanobis_h_ratio / 4)
Comparaison à référenceRMS to mean spectrumreference.rms_to_mean_spectrum_p9519.171.00fortSpectre 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_p950.611451.00fortForme 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_density0.0102011.00fortSous-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_p954.1011.00fortSpectre 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_p950.647661.00fortSpectre atypiqueDiverses causesp95 IsolationForest anomaly score on PCA scoresalert follows structure complexity; raw score is implementation-dependent
X PCA score plot-750-500-2500250500-1000100200PC1 -247.9 · PC2 -81.55PC1 -211.8 · PC2 -49.57PC1 -199.4 · PC2 -32.81PC1 -91.86 · PC2 -50.44PC1 -241.3 · PC2 -56.91PC1 245.8 · PC2 28.82PC1 241.2 · PC2 24.88PC1 247.8 · PC2 27.4PC1 250.6 · PC2 27.63PC1 -712.4 · PC2 126.1PC1 143.4 · PC2 3.121PC1 154.6 · PC2 3.689PC1 227.8 · PC2 18.87PC1 193.5 · PC2 10.77PC1 (94.4%)PC2 (3.0%)14 scores
PCA explained variance0%25%50%75%100%PC1: 94.4% (cumulative 94.4%)1PC2: 3.0% (cumulative 97.4%)2PC3: 1.9% (cumulative 99.3%)3PC4: 0.4% (cumulative 99.7%)4PC5: 0.2% (cumulative 99.9%)5PC6: 0.1% (cumulative 99.9%)6PC7: 0.0% (cumulative 100.0%)7PC8: 0.0% (cumulative 100.0%)8PC9: 0.0% (cumulative 100.0%)9PC10: 0.0% (cumulative 100.0%)10cumulative explained variancePC variancecumulativeprincipal component · cumulative (dashed)

Metric interpretation reference

Metric catalog 29
FamilleMétriqueCe qu’elle détecteForte valeur =Faible valeur =Causes typiquesCalcul / score
Intégrité des donnéesNaN ratioDonnées manquantesSpectre corrompuSpectre completErreur acquisition/exportcount(isnan(X)) / X.sizealert = min(1, nan_ratio / 0.05)
Intégrité des donnéesInf countValeurs infiniesCorruptionNormalCalculs invalidescount(isinf(X))alert = min(1, inf_count / 1)
Intégrité des donnéesZero ratioColonnes ou cellules nullesSpectre tronquéNormalExport, saturationcount(X == 0) / count(finite X)alert = min(1, zero_ratio / 0.05)
Amplitude globaleMean reflectanceNiveau moyenTrop clair / fond visibleTrop sombreFond, géométriemean(X finite)alert reuses baseline/shape drift because absolute reflectance ranges are technology-dependent
Amplitude globaleArea under curveIntensité globaleDifférence d'éclairementNormalDistance sondetrapezoid(mean_spectrum, spectral_axis)alert reuses baseline/shape drift because area scale depends on axis and units
Amplitude globalePeak-to-peak (PTP)DynamiqueVariabilité forteSpectre platSaturationmax(mean_spectrum) - min(mean_spectrum)alert increases when dynamic range is abnormally flat
Amplitude globaleVarianceVariabilité spectraleNormal ou hétérogèneSpectre platMauvais contactvar(X finite)alert increases when variance/dynamic range is abnormally flat
BruitNoise RMSBruit haute fréquenceBruitéStableLampe, détecteurmedian MAD(second derivative) * 1.4826 / sqrt(6)alert = noise_rms / signal_scale, saturated at 5%
BruitSNRQualité signalBon signalMauvais signalAcquisitionmean(abs(X)) / noise_rmsalert decreases with SNR dB; >=40 dB is treated as low alert
BruitBandwise SNRBruit localiséZone fiableZone problématiqueDétecteurmin(abs(mean_spectrum) / local second-derivative noise)alert decreases with worst-band SNR dB; >=35 dB is treated as low alert
Artefacts locauxSpike countPics étroitsArtefactsSpectre propreCosmic rays, splicecount robust outliers in second derivativealert follows spike_rate, saturated at 1%
Artefacts locauxSpike rateDensité de picsSpectre suspectNormalInterpolationspike_count / (n_samples * (n_features - 2))alert = min(1, spike_rate / 0.01)
Artefacts locauxJump countDiscontinuitésRaccord détecteurContinuSplicecount robust outliers in first derivativealert follows jump_rate, saturated at 1%
Artefacts locauxJump rateFréquence de sautsProblème spectralNormalCalibrationjump_count / (n_samples * (n_features - 1))alert = min(1, jump_rate / 0.01)
Artefacts locauxClip fractionSaturationClippingNormalDétecteur saturéfraction of finite cells equal to repeated min/max extremaalert = min(1, clip_fraction / 0.01)
Forme spectraleBaseline slopePente globaleDériveStableÉclairementlinear slope of mean_spectrum over normalized axisalert = abs(slope / signal_scale), saturated at 0.5
Forme spectraleCurvature RMSCourbureForme inhabituelleLisseFond, splicemedian RMS(second derivative per spectrum)alert = curvature_rms / signal_scale, saturated at 1%
Forme spectraleD1 RMSVariabilité localeSpectre structuréPlatBiologie ou artefactmedian RMS(first derivative per spectrum)alert = d1_rms / signal_scale, saturated at 5%
Outliers multivariésPCA Q (SPE)Non expliqué par PCASpectre atypiqueConformeArtefact, mélangep95(Q/SPE residual) / median(Q/SPE residual)alert = min(1, pca_q_ratio / 8)
Outliers multivariésHotelling T²Extrême dans PCAExtrême mais cohérentCentralVariabilité naturellep95(Hotelling T2) / median(Hotelling T2)alert = min(1, hotelling_t2_ratio / 8)
Outliers multivariésMahalanobis HDistance au nuageOutlier globalPopulation normaleDomaine différentp95(sqrt(T2)) / median(sqrt(T2))alert = min(1, mahalanobis_h_ratio / 4)
Comparaison à référenceRMS to mean spectrumDistance moyenneSpectre différentTypiqueDomain shiftp95 RMS distance to dataset mean spectrumalert = RMS_p95 / signal_scale, saturated at 25%
Comparaison à référenceSpectral Angle Mapper (SAM)Différence de formeForme différenteSimilaireFond, géométriep95 spectral angle to dataset mean spectrumalert = min(1, SAM_p95 / 0.35 rad)
RépétabilitéRMS intra-IDReproductibilitéMauvaise répétabilitéStablePositionnementmedian RMS distance to repeated-sample centroidalert = RMS_intra_ID / signal_scale, saturated at 10%
RépétabilitéSAM intra-IDVariation de formeInstableStableAcquisitionmedian SAM to repeated-sample centroidalert = min(1, SAM_intra_ID / 0.15 rad)
RépétabilitéCV intra-IDVariabilité interneMauvais contrôleStableOpérateurmedian within-ID band CValert = min(1, CV_intra_ID / 0.25)
Structure du datasetPCA score densityClustersSous-populationsHomogèneLots différents1 / median kNN distance in PCA score spacealert follows density_cv/profile structure complexity, not raw density alone
Structure du datasetLocal Outlier Factor (LOF)Anomalie localeSpectre isoléPopulation normaleCas raresp95 approximate LOF from PCA-score kNN distancesalert = min(1, max(0, LOF_p95 - 1) / 2)
Structure du datasetIsolation Forest scoreAnomalie globaleSpectre atypiqueNormalDiverses causesp95 IsolationForest anomaly score on PCA scoresalert follows structure complexity; raw score is implementation-dependent
Technology-specific extensions
TechnologieAdaptations / métriquesAnomalies cibléesCommentaire pratique
UV-Vis 300-1000 nmBaseline, pente globale, dérive aux bords 300-350 et 900-1000; métriques par zonesLumière parasite, mauvais blanc, saturation, faible signal aux extrémitésLes bords sont souvent instables; calculer aussi des scores edge/middle.
UV-Vis 300-1000 nmSaturation / clipping proche absorbance max ou réflectance maxSignal écrêtéTrès important si absorption forte.
UV-Vis 300-1000 nmRed-edge, position de maximum, ratios de bandes si végétalDécalage biologique ou artefact optiqueAide à distinguer changement réel et problème d'acquisition.
UV-Vis 300-1000 nmSmoothness / roughness indexBruit haute fréquenceSouvent plus informatif que le SNR seul.
MIR / ATR-FTIRATR contact quality index: intensité globale, aire totale, profondeur des bandes clésMauvais contact cristal-échantillonCrucial: beaucoup d'anomalies viennent du contact ATR.
MIR / ATR-FTIRCO2 / H2O atmospheric bandsMauvaise correction atmosphériquePics parasites fréquents.
MIR / ATR-FTIRBaseline curvature / rubber-band residualDiffusion, contact, dérive baselineTrès utile avant PCA.
MIR / ATR-FTIRPeak position shiftMauvais alignement spectral / calibrationImportant en FTIR car de petits shifts comptent.
MIR / ATR-FTIRBand area ratios sur bandes connuesSpectre chimiquement incohérentÀ adapter par matrice: polysaccharides, protéines, lipides, etc.
HS-MSTotal Ion Current (TIC), Base Peak Intensity (BPI)Injection faible, ionisation instableÉquivalent MS du niveau global spectral.
HS-MSNombre de pics détectésSpectre pauvre ou trop bruitéTrop peu = mauvais signal; trop = bruit/contamination.
HS-MSMass accuracy / m/z driftProblème calibration masseFondamental en HRMS.
HS-MSRetention time drift si LC/GC-MSDérive chromatographiqueÀ suivre sur standards/QC pools.
HS-MSBlank contamination scoreContaminants / carry-overComparer échantillons vs blancs.
HS-MSInternal standard CVVariabilité instrumentaleTrès robuste si standards disponibles.
HS-MSMissingness par featureInstabilité de détectionCrucial pour filtrer les variables.
Avec répétitionsRMS intra-échantillonRépétabilité globaleApplicable à toutes les technologies.
Avec répétitionsSAM / corrélation intra-échantillonRépétabilité de formeTrès utile pour spectres.
Avec répétitionsCV intra-échantillon par bande / featureRépétabilité localeDétecte les zones instables.
Avec répétitionsICC ou variance componentsPart variance échantillon vs techniqueTrès utile si plusieurs répétitions par sample.
Avec répétitionsDistance au centroïde intra-IDRépétition aberrantePermet de flagger la mauvaise répétition plutôt que le sample entier.
Bug-hunting / supervised audits
Famille de bug potentielMéthodes à ajouterCe que ça détecteÉtat dans l’explorateur
Shift spectral globalCorrélation spectre moyen inter-dataset, DTW, cross-correlation, comparaison positions de picsDécalage en longueur d'onde, mauvais alignement, interpolation différentePartiellement calculé: cross-correlation lag et dispersion des positions de pics vs spectre moyen.
Baseline / offset / gainRégression chaque spectre vs spectre moyen: x = a + b ref + residual; suivi de a, b, RMS résiduelOffset additif, effet multiplicatif, dérive de baselineCalculé dans reference.affine_*.
Mélange de lignes / mauvais appariement X-M-YVérification index, hash des lignes, duplication ID, distance spectrale intra-ID, labels incohérentsLignes mélangées, metadata mal alignées, Y attribué au mauvais spectrePartiellement couvert par répétabilité intra-ID; checks index/hash à ajouter au pipeline canonical.
Fuite d'information / répétitions mal splitéesGroupKFold par sample_id vs StratifiedKFold random; audit des partitions par sample_idPerformance artificiellement bonne due aux répétitionsNécessite splits et benchmark modèle; non calculé par la carte descriptive.
Label bugsÉchantillons proches en X mais Y différents, confident learning, erreurs systématiques FP/FNY inversés, erreurs de saisie, classes ambiguësNécessite Y et/ou modèle; recommandé pour l'explorateur supervisé.
Sous-domaines cachésPCA/UMAP/t-SNE + clustering non supervisé + association avec dataset/Y/date/operatorLots, campagnes, sondes, backgrounds non renseignésPartiellement calculé par structure PCA/LOF; UMAP/t-SNE hors carte statique.
Artefacts localisés inconnusCarte wavelength x dataset: différence moyenne, différence variance, KS par longueur d'ondeRégions spectrales anormales non anticipéesÀ calculer au niveau banque quand plusieurs datasets partagent un axe spectral.
Ruptures instrumentalesDiscontinuités dans dérivées, changepoint detectionSplice, raccord détecteur, saut local non prévuCalculé par jump/spike rates; changepoint plus avancé à ajouter.
Mélange / contamination spectraleNMF / unmixing / reconstruction par convex hullComposante externe: fond, plastique, solNon calculé automatiquement; nécessite hypothèses de composants ou grande bibliothèque.
Features instables mais prédictivesImportance modèle vs instabilité QC par variableModèle qui apprend un artefact plutôt qu'un signal biologiqueNécessite modèle supervisé; recommandé pour rapports de benchmark.

Variables

Targets 3

material_name

target · categorical
material_name classesConstruction ConcreteConstruction Concrete: 44Black gloss paintBlack gloss paint: 33Construction AsphaltConstruction Asphalt: 22Construction TarConstruction Tar: 22Asphaltic concreteAsphaltic concrete: 11Black paintBlack paint: 11Pine WoodPine Wood: 11
n / missing14 / 0
Classes7
Balance (entropy)0.93
Imbalance ratio4
Top classConstruction Concrete (4)

class_label

target · categorical
class_label classesGeneral Construction MaterialGeneral Construction Material: 66ConcreteConcrete: 44RoadRoad: 44
n / missing14 / 0
Classes3
Balance (entropy)0.98
Imbalance ratio2
Top classGeneral Construction Material (6)

subclass

target · categorical
subclass classesPaving ConcretePaving Concrete: 44PaintPaint: 44Paving AsphaltPaving Asphalt: 22TarTar: 22Cement CinderblockCement Cinderblock: 11WoodWood: 11
n / missing14 / 0
Classes6
Balance (entropy)0.92
Imbalance ratio4
Top classPaving Concrete (4)

Metadata 2

ecostress_resource_id

metadata · categorical
n / missing14 / 0
Classes14
Balance (entropy)1
Imbalance ratio1
Top classmanmade.concrete.pavingconcrete.solid.all.0092uuu_cnc.jhu.becknic.spectrum (1)

sample_description

metadata · categorical
n / missing14 / 0
Classes14
Balance (entropy)1
Imbalance ratio1
Top classGray and white weathered runway concrete. Sample had a flat surface, with a matte texture, and very little aggregate showing. Original ASTER Spectral Library name was jhu.becknic.manmade.concrete.paving.solid.0092uuu.spectrum.txt (1)
Constant metadata 16
  • categorymanmade
  • material_typemanmade
  • locationSpectra obtained from the Noncoventional Exploitation FactorsData System of the National Photographic Interpretation Center.
  • instrumentjhu.becknic
  • acquisition_modeDirectional (10 Degree) Hemispherical Reflectance
  • signal_typeReflectance (percent)
  • axis_unitWavelength (micrometers)
  • axis_min0.42
  • axis_max14
  • n_points_original491
  • 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
Samples14
Observations (total)14
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 hash54249faf5b612c57…
Processing hashf7433b94763c7c2e…
Metadata hash3f11cba9a57b0efc…

Load this dataset

# pip install nirs4all-datasets
from nirs4all_datasets import get

# private dataset — export requires a Dataverse token
ds = get("ecostress_manmade_all_491points", token="…")
X, y = ds.x(), ds.y()
print(X.shape, y.shape)

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