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Privatenative split

cafe_instantane_espece_cafe_ts

timeseries · NIR

cafe_instantane_espece_cafe_ts. v2.0 standardized NIRS package: 1 spectral source(s), 1 declared target(s). Auto-generated from dataset_card.json (verify before publication).

nirv2timeseries
🔒
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.
56
samples
286
wavelengths
1
sources
1
targets
14
metadata
NIR
family

Dataset property explorer

Mean profile risk0.24
Highest axisStructure multi-régimes · 0.53
Diagnostics8
Sources profiled1
cafe_instantane_espece_cafe_ts property profile0.250.50.751integritynoiseartefactsbaselinePCA outliersreferencerepeatabilitystructurecafe_instantane_espece_cafe_ts profileintegrity: 0.00noise: 0.12artefacts: 0.30baseline: 0.21PCA outliers: 0.38reference: 0.42repeatability: 0.00structure: 0.53cafe_instantane…0 center · 1 outer ring · outward = stronger anomaly / heterogeneity signal

Profile axes

Intégrité0.00
Artefacts locaux0.30
Bruit0.12
Outliers PCA0.38
Distance à la référence0.42
Répétabilité0.00
Baseline / forme0.21
Structure multi-régimes0.53
Diagnostic hypotheses00.250.50.751hypothesis scoreSpectre normalSpectre normal: 0.470.47Spectre hors domaine valideSpectre hors domaine valide: 0.450.45Splice / raccord détecteursSplice / raccord détecteurs: 0.290.29Fond différentFond différent: 0.280.28Dataset multi-régimesDataset multi-régimes: 0.280.28Erreur interpolation / réécha…Erreur interpolation / rééchantillonnage: 0.260.26Mélange feuille + fondMélange feuille + fond: 0.260.26Signature VERA25-likeSignature VERA25-like: 0.250.25
DiagnosticScoreForceSignauxInterprétation probable
Spectre normalX0.47moyennefaibles anomalies 0.47Spectre conforme à la population, acquisition correcte.
Spectre hors domaine valideX0.45moyenneartefacts faibles 0.70, Structure PCA 0.53, RMS/SAM référence 0.42Variété, espèce, lot ou condition différente mais physiquement plausible.
Splice / raccord détecteursX0.29faibleRMS/SAM référence 0.42, SNR non dégradé 0.41, Spike rate 0.30Rupture aux jonctions de détecteurs, calibration locale ou sonde différente.
Fond différentX0.28faibleRMS/SAM référence 0.42, Mahalanobis / T2 0.38, Baseline/mean/area 0.21Effet systématique du support, blanc/noir, transflectance ou environnement de mesure.
Dataset multi-régimesX0.28faibleStructure PCA 0.53, RMS/SAM référence 0.42, Mahalanobis / T2 0.38Mélange de campagnes, opérateurs, lots, setups ou sous-populations spectrales.
Erreur interpolation / rééchantillonnageX0.26faibleNoise RMS faible 0.88, SNR normal/élevé 0.41, Spike rate 0.30Artefacts numériques ou traitement spectral incorrect.
Mélange feuille + fondX0.26faibleRMS/SAM référence 0.42, Mahalanobis / T2 0.38, Baseline/mean/area 0.21Couverture partielle du spot; contribution du fond ou du support.
Signature VERA25-likeX0.25faibleRMS/SAM référence 0.42, Mahalanobis / T2 0.38, Spike rate 0.30Combinaison possible changement de sonde + splice, amplifiée par géométrie, fond ou calibration.

Spectral sources

recovered_spectra

X · NIR · unknown
recovered_spectra spectra-4-20245001,0001,5002,000q05-q95 envelopeq25-q75 envelopemedian spectrummedianq25–q75q05–q95wavelength / none1,900none — median -0.5933 (q25–q75 -0.6312–-0.5296)1892.3none — median -0.57 (q25–q75 -0.6043–-0.4992)1884.6none — median -0.709 (q25–q75 -0.7471–-0.6321)1876.8none — median -0.8635 (q25–q75 -0.899–-0.7998)1869.1none — median -0.9224 (q25–q75 -0.9548–-0.8771)1861.4none — median -0.9254 (q25–q75 -0.9655–-0.8652)1853.7none — median -0.9099 (q25–q75 -0.9599–-0.8717)1846none — median -0.965 (q25–q75 -0.9854–-0.9224)1838.2none — median -0.9921 (q25–q75 -1.011–-0.9698)1830.5none — median -0.9915 (q25–q75 -1.006–-0.967)1818.9none — median -1.005 (q25–q75 -1.029–-0.9818)1811.2none — median -1.043 (q25–q75 -1.075–-1.019)1803.5none — median -1.06 (q25–q75 -1.087–-1.033)1795.8none — median -1.034 (q25–q75 -1.066–-1.002)1788.1none — median -1.063 (q25–q75 -1.089–-1.037)1780.4none — median -1.063 (q25–q75 -1.082–-1.04)1772.6none — median -1.045 (q25–q75 -1.062–-1.024)1764.9none — median -1.017 (q25–q75 -1.037–-1.001)1757.2none — median -0.9568 (q25–q75 -0.9744–-0.9403)1749.5none — median -0.8573 (q25–q75 -0.8745–-0.8342)1741.8none — median -0.7467 (q25–q75 -0.7732–-0.7243)1734none — median -0.5898 (q25–q75 -0.6492–-0.5533)1726.3none — median -0.4983 (q25–q75 -0.5658–-0.4583)1718.6none — median -0.5147 (q25–q75 -0.5638–-0.452)1710.9none — median -0.4835 (q25–q75 -0.5173–-0.4528)1703.2none — median -0.3911 (q25–q75 -0.4285–-0.3608)1695.4none — median -0.2301 (q25–q75 -0.2802–-0.1998)1687.7none — median -0.01143 (q25–q75 -0.05845–0.03026)1,680none — median 0.2548 (q25–q75 0.2068–0.2875)1672.3none — median 0.3945 (q25–q75 0.3468–0.4504)1660.7none — median 0.5127 (q25–q75 0.4602–0.5805)1653none — median 0.6237 (q25–q75 0.5431–0.7117)1645.3none — median 0.7124 (q25–q75 0.6144–0.7885)1637.5none — median 0.8263 (q25–q75 0.7388–0.9192)1629.8none — median 0.9097 (q25–q75 0.8124–0.9924)1622.1none — median 0.9384 (q25–q75 0.8126–1.057)1614.4none — median 0.8617 (q25–q75 0.7475–1.03)1606.7none — median 0.7531 (q25–q75 0.6141–0.8738)1598.9none — median 0.6743 (q25–q75 0.6138–0.7371)1591.2none — median 0.7431 (q25–q75 0.6898–0.8175)1583.5none — median 0.7337 (q25–q75 0.6933–0.8023)1575.8none — median 0.6232 (q25–q75 0.5878–0.6665)1568.1none — median 0.5522 (q25–q75 0.5269–0.6031)1560.4none — median 0.6208 (q25–q75 0.5824–0.659)1552.6none — median 0.6876 (q25–q75 0.6593–0.7412)1544.9none — median 0.6879 (q25–q75 0.6294–0.7328)1537.2none — median 0.5936 (q25–q75 0.5539–0.6319)1529.5none — median 0.5413 (q25–q75 0.4733–0.5784)1521.8none — median 0.4756 (q25–q75 0.4306–0.5154)1514none — median 0.3313 (q25–q75 0.2973–0.3705)1502.5none — median 0.2448 (q25–q75 0.2032–0.2692)1494.7none — median 0.2483 (q25–q75 0.2168–0.2956)1487none — median 0.2106 (q25–q75 0.1693–0.2498)1479.3none — median 0.265 (q25–q75 0.2384–0.2944)1471.6none — median 0.4393 (q25–q75 0.3954–0.4835)1463.9none — median 0.5318 (q25–q75 0.4934–0.5873)1456.1none — median 0.6043 (q25–q75 0.5658–0.6752)1448.4none — median 0.7227 (q25–q75 0.6609–0.7912)1440.7none — median 0.8073 (q25–q75 0.746–0.8655)1433none — median 0.8426 (q25–q75 0.7656–0.9247)1425.3none — median 0.8722 (q25–q75 0.7965–0.9431)1417.5none — median 0.801 (q25–q75 0.7116–0.872)1409.8none — median 0.6061 (q25–q75 0.5501–0.6561)1402.1none — median 0.4898 (q25–q75 0.4443–0.5255)1394.4none — median 0.3753 (q25–q75 0.3407–0.4053)1386.7none — median 0.2916 (q25–q75 0.259–0.3319)1378.9none — median 0.2537 (q25–q75 0.2184–0.2883)1371.2none — median 0.2342 (q25–q75 0.1922–0.2563)1363.5none — median 0.2456 (q25–q75 0.2103–0.2739)1355.8none — median 0.3457 (q25–q75 0.3186–0.3683)1344.2none — median 0.6728 (q25–q75 0.6479–0.7049)1336.5none — median 0.8457 (q25–q75 0.798–0.8879)1328.8none — median 0.8735 (q25–q75 0.8217–0.9329)1321.1none — median 0.9329 (q25–q75 0.8755–1.008)1313.3none — median 0.9911 (q25–q75 0.9317–1.064)1305.6none — median 1.008 (q25–q75 0.9658–1.065)1297.9none — median 1.015 (q25–q75 0.9355–1.063)1290.2none — median 0.8983 (q25–q75 0.8172–0.9624)1282.5none — median 0.7648 (q25–q75 0.6701–0.8389)1274.7none — median 0.6463 (q25–q75 0.6098–0.7319)1267none — median 0.6087 (q25–q75 0.5642–0.675)1259.3none — median 0.5544 (q25–q75 0.5008–0.595)1251.6none — median 0.4106 (q25–q75 0.3539–0.4667)1243.9none — median 0.157 (q25–q75 0.111–0.2251)1236.1none — median -0.08979 (q25–q75 -0.1441–-0.0321)1228.4none — median -0.2992 (q25–q75 -0.3441–-0.2518)1220.7none — median -0.375 (q25–q75 -0.404–-0.3226)1213none — median -0.3546 (q25–q75 -0.4145–-0.3116)1205.3none — median -0.3647 (q25–q75 -0.4039–-0.3096)1197.5none — median -0.1577 (q25–q75 -0.2484–-0.1023)1186none — median -0.07049 (q25–q75 -0.1637–-0.02874)1178.2none — median -0.1649 (q25–q75 -0.2066–-0.1193)1170.5none — median -0.2076 (q25–q75 -0.2641–-0.1355)1162.8none — median -0.00972 (q25–q75 -0.0812–0.03809)1155.1none — median 0.1833 (q25–q75 0.1158–0.231)1147.4none — median 0.3665 (q25–q75 0.3321–0.4104)1139.6none — median 0.5409 (q25–q75 0.4684–0.5913)1131.9none — median 0.8284 (q25–q75 0.758–0.8818)1124.2none — median 1.08 (q25–q75 1.015–1.163)1116.5none — median 1.334 (q25–q75 1.262–1.42)1108.8none — median 1.551 (q25–q75 1.459–1.624)1101.1none — median 1.697 (q25–q75 1.573–1.789)1093.3none — median 1.69 (q25–q75 1.538–1.806)1085.6none — median 1.501 (q25–q75 1.383–1.624)1077.9none — median 1.376 (q25–q75 1.294–1.477)1070.2none — median 1.52 (q25–q75 1.443–1.554)1062.5none — median 1.607 (q25–q75 1.5–1.678)1054.7none — median 1.763 (q25–q75 1.648–1.878)1047none — median 1.631 (q25–q75 1.472–1.78)1039.3none — median 1.175 (q25–q75 1.021–1.263)1027.7none — median 0.8505 (q25–q75 0.7534–0.9054)1,020none — median 1.028 (q25–q75 0.9017–1.133)1012.3none — median 1.279 (q25–q75 1.142–1.442)1004.6none — median 1.587 (q25–q75 1.396–1.822)996.84none — median 1.153 (q25–q75 1.008–1.317)989.12none — median 0.4039 (q25–q75 0.3134–0.4879)981.4none — median -0.1368 (q25–q75 -0.2377–-0.01479)973.68none — median -0.5964 (q25–q75 -0.6483–-0.4526)965.96none — median -0.8999 (q25–q75 -0.9563–-0.8111)958.25none — median -1.123 (q25–q75 -1.182–-1.043)950.53none — median -1.227 (q25–q75 -1.281–-1.152)942.81none — median -1.238 (q25–q75 -1.303–-1.175)935.09none — median -1.239 (q25–q75 -1.306–-1.152)927.37none — median -1.29 (q25–q75 -1.356–-1.215)919.65none — median -1.424 (q25–q75 -1.469–-1.373)911.93none — median -1.591 (q25–q75 -1.619–-1.565)904.21none — median -1.708 (q25–q75 -1.747–-1.672)896.49none — median -1.76 (q25–q75 -1.817–-1.723)888.77none — median -1.782 (q25–q75 -1.849–-1.745)881.05none — median -1.795 (q25–q75 -1.867–-1.759)869.47none — median -1.809 (q25–q75 -1.885–-1.772)861.75none — median -1.815 (q25–q75 -1.893–-1.777)854.04none — median -1.819 (q25–q75 -1.9–-1.781)846.32none — median -1.825 (q25–q75 -1.906–-1.786)838.6none — median -1.83 (q25–q75 -1.912–-1.79)830.88none — median -1.834 (q25–q75 -1.917–-1.795)823.16none — median -1.839 (q25–q75 -1.922–-1.799)815.44none — median -1.843 (q25–q75 -1.928–-1.803)807.72none — median -1.846 (q25–q75 -1.932–-1.807)800none — median -1.849 (q25–q75 -1.935–-1.809)

Sampling

Wavelengths286
Axis range800–1,900 none
Mean spacing3.86 none
Griduniform
Observations56

Signal & quality

Value range-2.12 – 2.18
Mean range-1.88 – 1.78
Mean level-6.38e-11
Area4.736
PTP3.653
Noise RMS0.014672
SNR58
SNR dB4e+01 dB
Dynamic range3.65
Smoothness0.05762
Saturated0.0%
X-outliers18

Integrity & artefacts

NaN ratio0.00%
Inf count0
Zero ratio0.00%
Spike count47
Spike rate0.30%
Jump count18
Jump rate0.11%
Clip fraction0.01%

Shape & reference

Baseline slope0.29231
Curvature RMS0.056874
D1 RMS0.088262
RMS to mean0.086531
RMS p950.14647
SAM to mean0.086785
SAM p950.14713
Affine offset p954.7434e-09
Affine gain p95 Δ0.0059511
Affine residual p950.14635
Xcorr lag p950

Outliers & repeatability

PCA Q p95/median1.3
Hotelling T2 p95/median2.3
Mahalanobis H p95/median1.5
Repeat groups0

Dimensionality (PCA)

Effective rank6.2
PCs → 95% var17
Top-10 cum. var92.0%
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_reflectance-6.3797e-110.21faibleTrop sombreFond, géométriemean(X finite)alert reuses baseline/shape drift because absolute reflectance ranges are technology-dependent
Amplitude globaleArea under curveamplitude.area_under_curve4.73580.21faibleNormalDistance 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_peak3.65270.00faibleVariabilité forteSaturationmax(mean_spectrum) - min(mean_spectrum)alert increases when dynamic range is abnormally flat
Amplitude globaleVarianceamplitude.variance0.99650.00faibleNormal ou hétérogèneMauvais contactvar(X finite)alert increases when variance/dynamic range is abnormally flat
BruitNoise RMSnoise.noise_rms0.0146720.08faibleStableLampe, détecteurmedian MAD(second derivative) * 1.4826 / sqrt(6)alert = noise_rms / signal_scale, saturated at 5%
BruitSNRnoise.snr58.2990.12faibleBon signalAcquisitionmean(abs(X)) / noise_rmsalert decreases with SNR dB; >=40 dB is treated as low alert
BruitBandwise SNRnoise.bandwise_snr_min0.575091.00fortZone 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_count470.30faibleSpectre propreCosmic rays, splicecount robust outliers in second derivativealert follows spike_rate, saturated at 1%
Artefacts locauxSpike rateartefacts.spike_rate0.296%0.30faibleNormalInterpolationspike_count / (n_samples * (n_features - 2))alert = min(1, spike_rate / 0.01)
Artefacts locauxJump countartefacts.jump_count180.11faibleContinuSplicecount robust outliers in first derivativealert follows jump_rate, saturated at 1%
Artefacts locauxJump rateartefacts.jump_rate0.113%0.11faibleNormalCalibrationjump_count / (n_samples * (n_features - 1))alert = min(1, jump_rate / 0.01)
Artefacts locauxClip fractionartefacts.clip_fraction0.0125%0.01faibleNormalDétecteur saturéfraction of finite cells equal to repeated min/max extremaalert = min(1, clip_fraction / 0.01)
Forme spectraleBaseline slopeshape.baseline_slope0.292310.16faibleStableÉclairementlinear slope of mean_spectrum over normalized axisalert = abs(slope / signal_scale), saturated at 0.5
Forme spectraleCurvature RMSshape.curvature_rms0.0568741.00fortForme inhabituelleFond, splicemedian RMS(second derivative per spectrum)alert = curvature_rms / signal_scale, saturated at 1%
Forme spectraleD1 RMSshape.d1_rms0.0882620.48moyenSpectre structuréBiologie ou artefactmedian RMS(first derivative per spectrum)alert = d1_rms / signal_scale, saturated at 5%
Outliers multivariésPCA Q (SPE)outliers.pca_q_ratio1.34810.17faibleConformeArtefact, mélangep95(Q/SPE residual) / median(Q/SPE residual)alert = min(1, pca_q_ratio / 8)
Outliers multivariésHotelling T²outliers.hotelling_t2_ratio2.28480.29faibleCentralVariabilité naturellep95(Hotelling T2) / median(Hotelling T2)alert = min(1, hotelling_t2_ratio / 8)
Outliers multivariésMahalanobis Houtliers.mahalanobis_h_ratio1.51120.38faiblePopulation normaleDomaine différentp95(sqrt(T2)) / median(sqrt(T2))alert = min(1, mahalanobis_h_ratio / 4)
Comparaison à référenceRMS to mean spectrumreference.rms_to_mean_spectrum_p950.146470.16faibleTypiqueDomain 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_p950.147130.42moyenForme 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_density0.936150.53moyenSous-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_p951.60140.30faiblePopulation normaleCas raresp95 approximate LOF from PCA-score kNN distancesalert = min(1, max(0, LOF_p95 - 1) / 2)
Structure du datasetIsolation Forest scorestructure.isolation_forest_score_p950.525590.53moyenSpectre atypiqueDiverses causesp95 IsolationForest anomaly score on PCA scoresalert follows structure complexity; raw score is implementation-dependent
X PCA score plot-4-2024-2-1012PC1 -0.4205 · PC2 -0.8972PC1 0.3755 · PC2 -0.7466PC1 -0.7973 · PC2 -1.19PC1 0.08069 · PC2 -0.7578PC1 -1.232 · PC2 -0.4212PC1 1.252 · PC2 -1.459PC1 -0.8626 · PC2 -0.4115PC1 0.1828 · PC2 -1.119PC1 -0.813 · PC2 0.08083PC1 -0.5346 · PC2 -0.5635PC1 -1.796 · PC2 0.4229PC1 -1.399 · PC2 -0.5807PC1 -1.558 · PC2 0.09646PC1 -2.704 · PC2 -0.267PC1 0.5488 · PC2 0.3467PC1 0.03425 · PC2 0.1611PC1 0.1177 · PC2 0.9399PC1 0.4503 · PC2 1.057PC1 0.8368 · PC2 0.05901PC1 0.4643 · PC2 -0.0541PC1 1.824 · PC2 -0.4451PC1 0.9627 · PC2 0.8548PC1 1.169 · PC2 1.212PC1 0.2144 · PC2 1.294PC1 0.6954 · PC2 1.534PC1 0.2944 · PC2 0.8143PC1 0.4719 · PC2 0.2847PC1 -0.07388 · PC2 0.9685PC1 1.102 · PC2 -1.125PC1 0.02631 · PC2 -1.198PC1 0.8139 · PC2 -1.366PC1 -1.31 · PC2 -0.03187PC1 -0.2261 · PC2 -0.6106PC1 -0.3806 · PC2 -0.2582PC1 1.445 · PC2 -1.106PC1 -0.7576 · PC2 -0.2274PC1 -2.178 · PC2 0.2277PC1 -0.8766 · PC2 -0.8356PC1 -0.944 · PC2 -0.109PC1 -0.8798 · PC2 -0.4585PC1 -1.312 · PC2 -0.3806PC1 -1.749 · PC2 0.00425PC1 -0.8209 · PC2 -0.004809PC1 0.7375 · PC2 1.011PC1 1.67 · PC2 0.7448PC1 0.544 · PC2 0.6642PC1 3.501 · PC2 -1.024PC1 0.453 · PC2 -0.1775PC1 -0.0662 · PC2 0.9578PC1 2.044 · PC2 -1.085PC1 0.7473 · PC2 0.8008PC1 0.3177 · PC2 0.9044PC1 -0.5387 · PC2 0.7661PC1 0.3321 · PC2 0.3817PC1 0.462 · PC2 1.447PC1 0.06029 · PC2 0.8754PC1 (44.5%)PC2 (23.1%)56 scores
PCA explained variance0%25%50%75%100%PC1: 44.5% (cumulative 44.5%)1PC2: 23.1% (cumulative 67.6%)2PC3: 8.7% (cumulative 76.3%)3PC4: 6.3% (cumulative 82.6%)4PC5: 3.5% (cumulative 86.1%)5PC6: 2.2% (cumulative 88.2%)6PC7: 1.4% (cumulative 89.6%)7PC8: 1.0% (cumulative 90.6%)8PC9: 0.7% (cumulative 91.3%)9PC10: 0.7% (cumulative 92.0%)10cumulative explained variancePC variancecumulativeprincipal component · cumulative (dashed)
X-Y spectral correlation 1
X · espece_cafe spectral correlation-1-0.500.51absolute correlation envelopesigned correlationabsolute correlation5001,0001,5002,000|r|signed raxis · Pearson correlation scale
Targetmax |r|axis @ maxmean |r||r| ≥ .5
espece_cafe0.8831e+030.36627.6%

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 1

espece_cafe

target · numeric
espece_cafe distribution01020300 – 0.04167: 290.04167 – 0.08333: 00.08333 – 0.125: 00.125 – 0.1667: 00.1667 – 0.2083: 00.2083 – 0.25: 00.25 – 0.2917: 00.2917 – 0.3333: 00.3333 – 0.375: 00.375 – 0.4167: 00.4167 – 0.4583: 00.4583 – 0.5: 00.5 – 0.5417: 00.5417 – 0.5833: 00.5833 – 0.625: 00.625 – 0.6667: 00.6667 – 0.7083: 00.7083 – 0.75: 00.75 – 0.7917: 00.7917 – 0.8333: 00.8333 – 0.875: 00.875 – 0.9167: 00.9167 – 0.9583: 00.9583 – 1: 270.000.250.500.751.00
n / missing56 / 0
Mean ± SD0.4821 ± 0.504
Median0
Range0 – 1
CV1.05
Skew / kurtosis0.073 / -2.1
Normal?no

Metadata 5

ID_sample

metadata · categorical
n / missing56 / 0
Classes56
Balance (entropy)1
Imbalance ratio1
Top classCoffee_train_0001 (1)

split

metadata · categorical
split classestraintrain: 2828testtest: 2828
n / missing56 / 0
Classes2
Balance (entropy)1
Imbalance ratio1
Top classtrain (28)

raw_label

metadata · categorical
raw_label classes00: 292911: 2727
n / missing56 / 0
Classes2
Balance (entropy)1
Imbalance ratio1
Top class0 (29)

reference_value

metadata · numeric
reference_value distribution01020300 – 0.04167: 290.04167 – 0.08333: 00.08333 – 0.125: 00.125 – 0.1667: 00.1667 – 0.2083: 00.2083 – 0.25: 00.25 – 0.2917: 00.2917 – 0.3333: 00.3333 – 0.375: 00.375 – 0.4167: 00.4167 – 0.4583: 00.4583 – 0.5: 00.5 – 0.5417: 00.5417 – 0.5833: 00.5833 – 0.625: 00.625 – 0.6667: 00.6667 – 0.7083: 00.7083 – 0.75: 00.75 – 0.7917: 00.7917 – 0.8333: 00.8333 – 0.875: 00.875 – 0.9167: 00.9167 – 0.9583: 00.9583 – 1: 270.000.250.500.751.00
n / missing56 / 0
Mean ± SD0.4821 ± 0.504
Median0
Range0 – 1
CV1.05
Skew / kurtosis0.073 / -2.1
Normal?no

class_index

metadata · categorical
class_index classes00: 292911: 2727
n / missing56 / 0
Classes2
Balance (entropy)1
Imbalance ratio1
Top class0 (29)
Constant metadata 9
  • SpectralRep1
  • datasetCoffee
  • productcafe_instantane
  • trait_headerespece_cafe
  • trait_descriptionEspece de cafe (Arabica vs Robusta, codes bruts du dataset).
  • spectroMIR / FTIR
  • dimensions1
  • feature_count_per_dimension286
  • wavelength_notePublication source: spectres DRIFT tronques sur 800-1900 cm^-1, axe lineaire reconstruit ici en ordre decroissant 1900->800 sur 286 variables.

Alignment

Alignment levelobservation
Sample id availableno
Samples56
Observations (total)56
Reps per samplemin 1 · mean 1 · max 1

Splits

originaltest: 28, train: 28 documented · not applied

Provenance & citation

Contributortimeseries_classif_nirs_database
Origin · url [open]https://www.timeseriesclassification.com/aeon-toolkit/Coffee.zip
Origin · url [open]https://www.timeseriesclassification.com/description.php?Dataset=Coffee
Origin · script [manual]source_to_standard.py — standardization script (maintainer-only)

Governance & integrity

Tierprivate
LicenseLicenseRef-not-cleared
Permitted useResearch and benchmarking; private use only.
Access policyManual download / private-use-only per source.
RedistributionRecovered from local initial-source exports; rights not cleared for redistribution.
Content version1.0.0
Schema / protocol2.0
Content hash18152563e0333bd4…
Processing hash6bfc1dbc71ff59fc…
Metadata hashcf4d45918ef3f1b3…

Load this dataset

# pip install nirs4all-datasets
from nirs4all_datasets import get

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

Metadata downloads are available for public datasets only. The dataset bytes are never served here — fetch them from the origin / DOI above.