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Recherche Data Gouv fresh dried poultry cattle manure NIR

recherche · NIR

Recherche Data Gouv fresh dried poultry cattle manure NIR. v2.0 standardized NIRS package: 2 spectral source(s), 8 declared target(s). Auto-generated from dataset_card.json (verify before publication).

nirv2recherche
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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.
332
samples
1,400
wavelengths
2
sources
8
targets
22
metadata
NIR
family

Dataset property explorer

Mean profile risk0.59
Highest axisArtefacts locaux · 1.00
Diagnostics9
Sources profiled2
Recherche Data Gouv fresh dried poultry cattle manure NIR property profile0.250.50.751integritynoiseartefactsbaselinePCA outliersreferencerepeatabilitystructureRecherche Data Gouv fresh dried poultry cattle manure NIR profileintegrity: 0.00noise: 0.00artefacts: 1.00baseline: 1.00PCA outliers: 0.72reference: 1.00repeatability: 0.00structure: 1.00Recherche Data …0 center · 1 outer ring · outward = stronger anomaly / heterogeneity signal

Profile axes

Intégrité0.00
Artefacts locaux1.00
Bruit0.00
Outliers PCA0.72
Distance à la référence1.00
Répétabilité0.00
Baseline / forme1.00
Structure multi-régimes1.00
Diagnostic hypotheses00.250.50.751hypothesis scoreSplice / raccord détecteursSplice / raccord détecteurs: 0.880.88Erreur calibration / référenc…Erreur calibration / référence blanche: 0.810.81Fond différentFond différent: 0.750.75Erreur interpolation / réécha…Erreur interpolation / rééchantillonnage: 0.730.73Signature VERA25-likeSignature VERA25-like: 0.700.70Différence de sonde / géométr…Différence de sonde / géométrie: 0.650.65Dataset multi-régimesDataset multi-régimes: 0.640.64Mélange feuille + fondMélange feuille + fond: 0.590.59
DiagnosticScoreForceSignauxInterprétation probable
Splice / raccord détecteursX_FH0.88forteSpike 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 blancheX_FH0.81forteBaseline/mean/area 1.00, RMS/SAM référence 1.00, artefacts locaux 1.00Décalage systématique entre campagnes, instruments ou référence blanche.
Fond différentX_FH0.75forteBaseline/mean/area 1.00, RMS/SAM référence 1.00, PCA Q 0.92Effet systématique du support, blanc/noir, transflectance ou environnement de mesure.
Erreur interpolation / rééchantillonnageX_FH0.73forteSpike rate 1.00, SNR normal/élevé 1.00, Noise RMS faible 1.00Artefacts numériques ou traitement spectral incorrect.
Signature VERA25-likeX_FH0.70moyenneSpike rate 1.00, RMS/SAM référence 1.00, PCA Q 0.92Combinaison possible changement de sonde + splice, amplifiée par géométrie, fond ou calibration.
Différence de sonde / géométrieX_FH0.65moyenneBaseline/mean/area 1.00, RMS/SAM référence 1.00, PCA Q 0.92Modification de l'illumination, collecte, angle ou distance sonde-échantillon.
Dataset multi-régimesX_FH0.64moyenneRMS/SAM référence 1.00, Structure PCA 1.00, PCA Q 0.92Mélange de campagnes, opérateurs, lots, setups ou sous-populations spectrales.
Mélange feuille + fondX_FH0.59moyenneBaseline/mean/area 1.00, RMS/SAM référence 1.00, PCA Q 0.92Couverture partielle du spot; contribution du fond ou du support.

Spectral sources

DG standardized NIR absorbance

X_DG · NIR · XDS Foss DG standardized by PDS
DG standardized NIR absorbance spectra0.00.20.40.60.81,0001,5002,0002,500q05-q95 envelopeq25-q75 envelopemedian spectrummedianq25–q75q05–q95wavelength / nm1,100nm — median 0.1959 (q25–q75 0.1623–0.2513)1,110nm — median 0.1936 (q25–q75 0.159–0.247)1,120nm — median 0.1914 (q25–q75 0.1565–0.2435)1,130nm — median 0.1897 (q25–q75 0.1546–0.2408)1,140nm — median 0.1887 (q25–q75 0.1529–0.2378)1,150nm — median 0.1881 (q25–q75 0.1525–0.2357)1,160nm — median 0.1884 (q25–q75 0.1517–0.2339)1,170nm — median 0.1899 (q25–q75 0.15–0.2332)1,180nm — median 0.1893 (q25–q75 0.1498–0.2324)1,190nm — median 0.1897 (q25–q75 0.1489–0.2309)1,200nm — median 0.1877 (q25–q75 0.1472–0.2296)1,210nm — median 0.1861 (q25–q75 0.1457–0.2277)1,220nm — median 0.1832 (q25–q75 0.1422–0.2244)1,230nm — median 0.1798 (q25–q75 0.1384–0.2205)1,240nm — median 0.1768 (q25–q75 0.1347–0.2173)1,250nm — median 0.1739 (q25–q75 0.131–0.2142)1,260nm — median 0.172 (q25–q75 0.1287–0.2118)1,270nm — median 0.1698 (q25–q75 0.1266–0.2098)1,282nm — median 0.1671 (q25–q75 0.1235–0.2065)1,292nm — median 0.1653 (q25–q75 0.1211–0.204)1,302nm — median 0.1641 (q25–q75 0.1195–0.2027)1,312nm — median 0.1632 (q25–q75 0.1181–0.201)1,322nm — median 0.1627 (q25–q75 0.1169–0.1993)1,332nm — median 0.1627 (q25–q75 0.1157–0.1993)1,342nm — median 0.1637 (q25–q75 0.1152–0.2003)1,352nm — median 0.1663 (q25–q75 0.1156–0.2003)1,362nm — median 0.1685 (q25–q75 0.1161–0.2008)1,372nm — median 0.1701 (q25–q75 0.1154–0.204)1,382nm — median 0.1728 (q25–q75 0.1152–0.207)1,392nm — median 0.1789 (q25–q75 0.1164–0.2156)1,402nm — median 0.1876 (q25–q75 0.1212–0.2267)1,412nm — median 0.2007 (q25–q75 0.1291–0.2452)1,422nm — median 0.2089 (q25–q75 0.1357–0.2612)1,432nm — median 0.2186 (q25–q75 0.1425–0.2719)1,442nm — median 0.2231 (q25–q75 0.1458–0.2767)1,452nm — median 0.2243 (q25–q75 0.1467–0.2804)1,462nm — median 0.2246 (q25–q75 0.1466–0.2807)1,472nm — median 0.2242 (q25–q75 0.1445–0.281)1,482nm — median 0.2224 (q25–q75 0.1429–0.2801)1,492nm — median 0.2202 (q25–q75 0.1412–0.2776)1,502nm — median 0.2161 (q25–q75 0.1385–0.2748)1,512nm — median 0.2118 (q25–q75 0.1344–0.2713)1,522nm — median 0.2067 (q25–q75 0.1306–0.2669)1,532nm — median 0.2034 (q25–q75 0.1274–0.2631)1,542nm — median 0.2012 (q25–q75 0.1253–0.2611)1,552nm — median 0.199 (q25–q75 0.1231–0.2596)1,562nm — median 0.1984 (q25–q75 0.1213–0.2585)1,572nm — median 0.1972 (q25–q75 0.1189–0.2573)1,582nm — median 0.1959 (q25–q75 0.117–0.2555)1,592nm — median 0.1936 (q25–q75 0.1143–0.2531)1,602nm — median 0.1901 (q25–q75 0.1109–0.2501)1,612nm — median 0.186 (q25–q75 0.1079–0.2468)1,622nm — median 0.1829 (q25–q75 0.1046–0.2437)1,634nm — median 0.1806 (q25–q75 0.1024–0.2413)1,644nm — median 0.1797 (q25–q75 0.102–0.2407)1,654nm — median 0.1797 (q25–q75 0.1027–0.2418)1,664nm — median 0.1816 (q25–q75 0.1053–0.2451)1,674nm — median 0.1855 (q25–q75 0.1085–0.2494)1,684nm — median 0.1911 (q25–q75 0.1116–0.253)1,694nm — median 0.1965 (q25–q75 0.1146–0.255)1,704nm — median 0.1998 (q25–q75 0.1151–0.2555)1,714nm — median 0.204 (q25–q75 0.1171–0.257)1,724nm — median 0.208 (q25–q75 0.12–0.2597)1,734nm — median 0.2075 (q25–q75 0.1194–0.2596)1,744nm — median 0.2062 (q25–q75 0.1174–0.258)1,754nm — median 0.2071 (q25–q75 0.1166–0.2579)1,764nm — median 0.2072 (q25–q75 0.1162–0.2578)1,774nm — median 0.2063 (q25–q75 0.1154–0.2569)1,784nm — median 0.2054 (q25–q75 0.115–0.2564)1,794nm — median 0.2049 (q25–q75 0.1141–0.2558)1,804nm — median 0.2038 (q25–q75 0.1126–0.2551)1,814nm — median 0.2029 (q25–q75 0.1112–0.2542)1,824nm — median 0.2024 (q25–q75 0.11–0.2533)1,834nm — median 0.2011 (q25–q75 0.1082–0.2523)1,844nm — median 0.1998 (q25–q75 0.1068–0.2516)1,854nm — median 0.1995 (q25–q75 0.1065–0.2517)1,864nm — median 0.2007 (q25–q75 0.1079–0.2524)1,874nm — median 0.2059 (q25–q75 0.1131–0.257)1,884nm — median 0.2185 (q25–q75 0.1274–0.2689)1,894nm — median 0.243 (q25–q75 0.1568–0.3032)1,904nm — median 0.2793 (q25–q75 0.197–0.3454)1,914nm — median 0.3108 (q25–q75 0.2215–0.3822)1,924nm — median 0.3244 (q25–q75 0.2348–0.403)1,934nm — median 0.3274 (q25–q75 0.235–0.4083)1,944nm — median 0.3206 (q25–q75 0.2277–0.4025)1,954nm — median 0.3123 (q25–q75 0.2173–0.3925)1,964nm — median 0.3045 (q25–q75 0.2076–0.3825)1,976nm — median 0.2958 (q25–q75 0.1976–0.3722)1,986nm — median 0.2916 (q25–q75 0.1907–0.3626)1,996nm — median 0.2879 (q25–q75 0.1849–0.355)2,006nm — median 0.2864 (q25–q75 0.1822–0.3544)2,016nm — median 0.2889 (q25–q75 0.1842–0.3518)2,026nm — median 0.2957 (q25–q75 0.1903–0.3551)2,036nm — median 0.3069 (q25–q75 0.1995–0.3637)2,046nm — median 0.3185 (q25–q75 0.2108–0.3745)2,056nm — median 0.3283 (q25–q75 0.2201–0.3833)2,066nm — median 0.3346 (q25–q75 0.2262–0.3875)2,076nm — median 0.3385 (q25–q75 0.2289–0.3907)2,086nm — median 0.3412 (q25–q75 0.2315–0.3945)2,096nm — median 0.3439 (q25–q75 0.2347–0.399)2,106nm — median 0.346 (q25–q75 0.2361–0.4016)2,116nm — median 0.3464 (q25–q75 0.2367–0.4038)2,126nm — median 0.3459 (q25–q75 0.2366–0.4081)2,136nm — median 0.3453 (q25–q75 0.2361–0.4113)2,146nm — median 0.3453 (q25–q75 0.2344–0.414)2,156nm — median 0.3441 (q25–q75 0.2322–0.4157)2,166nm — median 0.3423 (q25–q75 0.231–0.4159)2,176nm — median 0.3407 (q25–q75 0.2281–0.4136)2,186nm — median 0.3406 (q25–q75 0.225–0.4101)2,196nm — median 0.341 (q25–q75 0.2222–0.4067)2,206nm — median 0.3406 (q25–q75 0.2188–0.4051)2,216nm — median 0.3372 (q25–q75 0.2158–0.4014)2,226nm — median 0.336 (q25–q75 0.2171–0.3961)2,236nm — median 0.3416 (q25–q75 0.2267–0.3993)2,246nm — median 0.3566 (q25–q75 0.2401–0.4101)2,256nm — median 0.3736 (q25–q75 0.2576–0.4241)2,266nm — median 0.3876 (q25–q75 0.2733–0.4382)2,276nm — median 0.3946 (q25–q75 0.279–0.4464)2,286nm — median 0.3956 (q25–q75 0.2799–0.451)2,296nm — median 0.3981 (q25–q75 0.2817–0.4544)2,306nm — median 0.4044 (q25–q75 0.2883–0.4621)2,316nm — median 0.4074 (q25–q75 0.292–0.4606)2,328nm — median 0.4069 (q25–q75 0.2932–0.4595)2,338nm — median 0.4084 (q25–q75 0.2957–0.46)2,348nm — median 0.409 (q25–q75 0.2963–0.4624)2,358nm — median 0.4068 (q25–q75 0.2936–0.46)2,368nm — median 0.4046 (q25–q75 0.2916–0.457)2,378nm — median 0.4036 (q25–q75 0.2912–0.4563)2,388nm — median 0.4045 (q25–q75 0.2909–0.4562)2,398nm — median 0.4044 (q25–q75 0.2901–0.4559)2,408nm — median 0.4073 (q25–q75 0.292–0.4587)2,418nm — median 0.4155 (q25–q75 0.2986–0.4667)2,428nm — median 0.4256 (q25–q75 0.3079–0.4783)2,438nm — median 0.4378 (q25–q75 0.3197–0.4925)2,448nm — median 0.4536 (q25–q75 0.3356–0.5093)2,458nm — median 0.4694 (q25–q75 0.3523–0.5267)2,468nm — median 0.4835 (q25–q75 0.3695–0.5426)2,478nm — median 0.4957 (q25–q75 0.3828–0.5557)2,488nm — median 0.5049 (q25–q75 0.3906–0.5651)2,498nm — median 0.5075 (q25–q75 0.3925–0.5698)

Sampling

Wavelengths700
Axis range1,100–2,498 nm
Mean spacing2 nm
Griduniform
Observations332

Signal & quality

Value range0.0111 – 0.812
Mean range0.168 – 0.509
Mean level0.2732
Area381.8
PTP0.3412
Noise RMS4.4327e-05
SNR6.2e+03
SNR dB8e+01 dB
Dynamic range0.341
Smoothness0.0001972
Saturated0.0%
X-outliers158

Integrity & artefacts

NaN ratio0.00%
Inf count0
Zero ratio0.00%
Spike count2,296
Spike rate0.99%
Jump count3,290
Jump rate1.42%
Clip fraction0.00%

Shape & reference

Baseline slope0.28466
Curvature RMS0.00017838
D1 RMS0.001534
RMS to mean0.086337
RMS p950.16111
SAM to mean0.10233
SAM p950.27139
Affine offset p950.17332
Affine gain p95 Δ0.58958
Affine residual p950.041445
Xcorr lag p950

Outliers & repeatability

PCA Q p95/median4.1
Hotelling T2 p95/median3.8
Mahalanobis H p95/median1.9
Repeat groups0

Dimensionality (PCA)

Effective rank1.4
PCs → 95% var2
PCs → 99% var2
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_reflectance0.273241.00fortValeur 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_curve381.81.00fortValeur 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_peak0.341230.00faibleVariabilité forteSaturationmax(mean_spectrum) - min(mean_spectrum)alert increases when dynamic range is abnormally flat
Amplitude globaleVarianceamplitude.variance0.0205950.00faibleNormal ou hétérogèneMauvais contactvar(X finite)alert increases when variance/dynamic range is abnormally flat
BruitNoise RMSnoise.noise_rms4.4327e-050.00faibleStableLampe, détecteurmedian MAD(second derivative) * 1.4826 / sqrt(6)alert = noise_rms / signal_scale, saturated at 5%
BruitSNRnoise.snr6164.10.00faibleBon signalAcquisitionmean(abs(X)) / noise_rmsalert decreases with SNR dB; >=40 dB is treated as low alert
BruitBandwise SNRnoise.bandwise_snr_min1479.40.00faibleZone 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_count2,2960.99fortArtefactsCosmic rays, splicecount robust outliers in second derivativealert follows spike_rate, saturated at 1%
Artefacts locauxSpike rateartefacts.spike_rate0.991%0.99fortSpectre suspectInterpolationspike_count / (n_samples * (n_features - 2))alert = min(1, spike_rate / 0.01)
Artefacts locauxJump countartefacts.jump_count3,2901.00fortRaccord détecteurSplicecount robust outliers in first derivativealert follows jump_rate, saturated at 1%
Artefacts locauxJump rateartefacts.jump_rate1.42%1.00fortProblème spectralCalibrationjump_count / (n_samples * (n_features - 1))alert = min(1, jump_rate / 0.01)
Artefacts locauxClip fractionartefacts.clip_fraction0.000861%0.00faibleNormalDétecteur saturéfraction of finite cells equal to repeated min/max extremaalert = min(1, clip_fraction / 0.01)
Forme spectraleBaseline slopeshape.baseline_slope0.284661.00fortDériveÉclairementlinear slope of mean_spectrum over normalized axisalert = abs(slope / signal_scale), saturated at 0.5
Forme spectraleCurvature RMSshape.curvature_rms0.000178380.05faibleLisseFond, splicemedian RMS(second derivative per spectrum)alert = curvature_rms / signal_scale, saturated at 1%
Forme spectraleD1 RMSshape.d1_rms0.0015340.09faiblePlatBiologie ou artefactmedian RMS(first derivative per spectrum)alert = d1_rms / signal_scale, saturated at 5%
Outliers multivariésPCA Q (SPE)outliers.pca_q_ratio4.14080.52moyenSpectre atypiqueArtefact, mélangep95(Q/SPE residual) / median(Q/SPE residual)alert = min(1, pca_q_ratio / 8)
Outliers multivariésHotelling T²outliers.hotelling_t2_ratio3.8020.48moyenExtrême mais cohérentVariabilité naturellep95(Hotelling T2) / median(Hotelling T2)alert = min(1, hotelling_t2_ratio / 8)
Outliers multivariésMahalanobis Houtliers.mahalanobis_h_ratio1.94990.49moyenOutlier globalDomaine différentp95(sqrt(T2)) / median(sqrt(T2))alert = min(1, mahalanobis_h_ratio / 4)
Comparaison à référenceRMS to mean spectrumreference.rms_to_mean_spectrum_p950.161111.00fortSpectre 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_p950.271390.78fortForme différenteFond, géométriep95 spectral angle to dataset mean spectrumalert = min(1, SAM_p95 / 0.35 rad)
RépétabilitéRMS intra-IDrepeatability.rms_intra_id—0.00faibleStablePositionnementmedian RMS distance to repeated-sample centroidalert = RMS_intra_ID / signal_scale, saturated at 10%
RépétabilitéSAM intra-IDrepeatability.sam_intra_id—0.00faibleStableAcquisitionmedian SAM to repeated-sample centroidalert = min(1, SAM_intra_ID / 0.15 rad)
RépétabilitéCV intra-IDrepeatability.cv_intra_id—0.00faibleStableOpérateurmedian within-ID band CValert = min(1, CV_intra_ID / 0.25)
Structure du datasetPCA score densitystructure.pca_score_density5.51481.00fortSous-populationsLots différents1 / median kNN distance in PCA score spacealert follows density_cv/profile structure complexity, not raw density alone
Structure du datasetLocal Outlier Factor (LOF)structure.local_outlier_factor_p953.32551.00fortSpectre 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_p950.576741.00fortSpectre atypiqueDiverses causesp95 IsolationForest anomaly score on PCA scoresalert follows structure complexity; raw score is implementation-dependent
X_DG PCA score plot-5051015-4-202PC1 -3.525 · PC2 -0.05693PC1 -3.295 · PC2 -0.2135PC1 -2.729 · PC2 -0.1474PC1 -3.078 · PC2 -0.3099PC1 -3.287 · PC2 -0.2104PC1 -2.449 · PC2 -0.318PC1 -2.496 · PC2 0.2739PC1 -3.398 · PC2 0.1703PC1 -3.197 · PC2 0.2017PC1 -0.2264 · PC2 -0.4237PC1 -0.2539 · PC2 0.1411PC1 -4.086 · PC2 0.268PC1 -3.792 · PC2 0.3354PC1 -2.456 · PC2 -0.1114PC1 -3.75 · PC2 -0.8357PC1 -3.993 · PC2 -0.1527PC1 -3.66 · PC2 -0.1595PC1 0.186 · PC2 -0.8503PC1 -0.5691 · PC2 -1.02PC1 1.294 · PC2 -0.5763PC1 -0.1782 · PC2 -0.5689PC1 0.5184 · PC2 -0.578PC1 -0.008235 · PC2 -0.4305PC1 2.744 · PC2 -1.973PC1 -2.99 · PC2 -0.4546PC1 -3.928 · PC2 -0.09276PC1 -3.356 · PC2 -0.2202PC1 -2.754 · PC2 -0.3622PC1 -2.864 · PC2 -0.8165PC1 -3.178 · PC2 -0.102PC1 -2.889 · PC2 -0.8814PC1 -2.119 · PC2 -0.7511PC1 -3.638 · PC2 0.07366PC1 0.8059 · PC2 -0.7276PC1 -0.4019 · PC2 -0.7214PC1 -0.8343 · PC2 -0.2759PC1 0.218 · PC2 -0.4051PC1 -0.6775 · PC2 -0.4232PC1 0.06816 · PC2 -0.2512PC1 -3.306 · PC2 0.1371PC1 -3.734 · PC2 0.1241PC1 -3.642 · PC2 0.3735PC1 -3.549 · PC2 0.6115PC1 -3.805 · PC2 0.0988PC1 -3.82 · PC2 0.09837PC1 -3.898 · PC2 0.3004PC1 -2.93 · PC2 -0.6443PC1 -3.041 · PC2 -0.3428PC1 -0.43 · PC2 -0.8116PC1 -0.4358 · PC2 -0.4616PC1 0.671 · PC2 -1.084PC1 0.7686 · PC2 -1.384PC1 -0.05487 · PC2 -0.8045PC1 -0.8895 · PC2 -0.3273PC1 -3.592 · PC2 -0.1078PC1 -3.888 · PC2 -0.09307PC1 -2.744 · PC2 -0.2642PC1 -2.571 · PC2 -0.6537PC1 1.339 · PC2 -1.868PC1 1.041 · PC2 -1.346PC1 0.2545 · PC2 -0.683PC1 -3.166 · PC2 -0.1258PC1 -3.565 · PC2 -0.2928PC1 -2.835 · PC2 -0.7404PC1 -2.748 · PC2 -0.5468PC1 -3.625 · PC2 -0.1242PC1 -3.331 · PC2 -0.5399PC1 -3.293 · PC2 -0.2577PC1 -2.528 · PC2 -0.6395PC1 -3.067 · PC2 -0.6638PC1 1.472 · PC2 -1.249PC1 -0.5517 · PC2 -0.8384PC1 -0.008722 · PC2 -0.266PC1 -0.01011 · PC2 0.1615PC1 -1.028 · PC2 -0.2562PC1 -0.6274 · PC2 -0.1936PC1 -2.539 · PC2 -0.3726PC1 -2.778 · PC2 -0.3891PC1 -3.191 · PC2 -0.007695PC1 -3.128 · PC2 -0.04296PC1 1.023 · PC2 -1.335PC1 -0.009759 · PC2 -0.7828PC1 -2.447 · PC2 -0.3969PC1 -3.579 · PC2 -0.05971PC1 -3.291 · PC2 -0.7524PC1 -1.279 · PC2 -0.9425PC1 -2.946 · PC2 -0.6758PC1 -3.204 · PC2 -0.46PC1 -3.132 · PC2 -0.07193PC1 -2.806 · PC2 0.1053PC1 0.6691 · PC2 -1.243PC1 0.3739 · PC2 -0.6805PC1 1.074 · PC2 -1.361PC1 0.1434 · PC2 -0.8114PC1 -0.07603 · PC2 -1.092PC1 0.2602 · PC2 -0.7302PC1 0.0413 · PC2 -0.5904PC1 0.3 · PC2 -0.702PC1 -2.616 · PC2 -0.153PC1 -2.489 · PC2 -0.3867PC1 -0.8785 · PC2 -0.4803PC1 -2.838 · PC2 -0.2734PC1 -1.877 · PC2 -0.5358PC1 -3.094 · PC2 -0.01432PC1 -2.703 · PC2 0.09043PC1 -3.26 · PC2 -0.5841PC1 -0.5627 · PC2 -0.8187PC1 -0.2231 · PC2 -0.1314PC1 0.7595 · PC2 -0.978PC1 0.004806 · PC2 -0.4188PC1 -0.653 · PC2 -0.5128PC1 -0.197 · PC2 -0.5814PC1 -0.0947 · PC2 -0.6656PC1 0.37 · PC2 -1.001PC1 -0.3643 · PC2 -0.0773PC1 -0.3191 · PC2 -0.3756PC1 -0.2135 · PC2 -0.6825PC1 2.146 · PC2 -0.7687PC1 -0.0814 · PC2 -0.2598PC1 -3.227 · PC2 -0.06105PC1 -2.356 · PC2 -0.3271PC1 -2.353 · PC2 -1.008PC1 -1.184 · PC2 -0.0149PC1 -1.294 · PC2 -0.3678PC1 -3.031 · PC2 -0.224PC1 -1.876 · PC2 -1.149PC1 0.3809 · PC2 -0.4586PC1 0.3782 · PC2 -0.5871PC1 0.4696 · PC2 -0.7651PC1 0.3091 · PC2 -0.9772PC1 0.7911 · PC2 -0.2555PC1 -3.066 · PC2 -0.4501PC1 -2.684 · PC2 -0.6605PC1 -2.845 · PC2 -0.06806PC1 -3.168 · PC2 -0.2847PC1 -2.546 · PC2 -0.2616PC1 -3.614 · PC2 0.3379PC1 -2.361 · PC2 -0.4225PC1 -2.014 · PC2 -0.9167PC1 -1.533 · PC2 -0.7031PC1 -2.877 · PC2 0.1109PC1 -2.937 · PC2 -0.1507PC1 -3.144 · PC2 -0.4952PC1 -3.792 · PC2 -0.1661PC1 -0.3843 · PC2 -0.5272PC1 -0.1506 · PC2 -0.6495PC1 -0.4947 · PC2 -0.445PC1 -1.32 · PC2 -0.1143PC1 -0.1567 · PC2 -0.7021PC1 0.649 · PC2 -0.3391PC1 -0.1268 · PC2 -0.1002PC1 1.189 · PC2 -0.1781PC1 -3.181 · PC2 0.03178PC1 -3.502 · PC2 0.1767PC1 -3.566 · PC2 0.3292PC1 -4.001 · PC2 0.03496PC1 -3.409 · PC2 -0.2946PC1 -4.046 · PC2 0.2119PC1 -1.565 · PC2 -0.09434PC1 -1.065 · PC2 -0.5731PC1 -0.5982 · PC2 -0.4353PC1 -0.2242 · PC2 0.1463PC1 0.9712 · PC2 0.04732PC1 -0.159 · PC2 -0.6893PC1 -3.566 · PC2 0.07592PC1 -2.68 · PC2 -0.7394PC1 -4.263 · PC2 -0.2136PC1 -1.957 · PC2 -0.3589PC1 -3.095 · PC2 -0.4418PC1 -1.239 · PC2 -0.1191PC1 -0.7943 · PC2 -0.4029PC1 -4.294 · PC2 -0.2266PC1 1.377 · PC2 -1.661PC1 0.3014 · PC2 -0.8965PC1 0.9846 · PC2 -1.38PC1 -0.4311 · PC2 -0.9441PC1 -3.378 · PC2 0.186PC1 -3.155 · PC2 0.05178PC1 -3.782 · PC2 0.382PC1 -1.191 · PC2 -0.3648PC1 0.3514 · PC2 -0.2094PC1 0.4387 · PC2 -0.1434PC1 -0.2052 · PC2 0.4097PC1 -0.521 · PC2 0.2501PC1 -0.08798 · PC2 0.09447PC1 -0.07638 · PC2 0.2268PC1 -0.1757 · PC2 0.6233PC1 0.07832 · PC2 0.6541PC1 1.071 · PC2 0.1001PC1 -0.2338 · PC2 0.4706PC1 -0.6853 · PC2 0.5316PC1 -0.1782 · PC2 0.5793PC1 0.06708 · PC2 0.5842PC1 -0.01701 · PC2 0.5675PC1 0.08723 · PC2 0.3339PC1 -0.1586 · PC2 0.7661PC1 -0.3863 · PC2 0.3675PC1 0.5275 · PC2 0.05644PC1 0.09295 · PC2 0.0444PC1 -0.09665 · PC2 0.2272PC1 0.4598 · PC2 -0.02025PC1 0.9383 · PC2 -0.2458PC1 0.04582 · PC2 0.1469PC1 0.7222 · PC2 0.5644PC1 1.151 · PC2 0.5347PC1 1.148 · PC2 0.8809PC1 0.7418 · PC2 0.4694PC1 0.5964 · PC2 0.465PC1 0.6152 · PC2 0.3548PC1 0.347 · PC2 0.5848PC1 -0.2268 · PC2 -0.01094PC1 -0.1591 · PC2 0.09504PC1 0.06046 · PC2 0.2249PC1 -0.0625 · PC2 0.2733PC1 -0.1625 · PC2 0.2353PC1 -0.2243 · PC2 0.3017PC1 0.02115 · PC2 0.2196PC1 0.04187 · PC2 0.1641PC1 0.007039 · PC2 0.2263PC1 -0.2204 · PC2 0.1263PC1 0.2646 · PC2 0.3222PC1 0.3615 · PC2 0.2835PC1 0.5322 · PC2 0.39PC1 0.1205 · PC2 0.2012PC1 -0.1483 · PC2 0.2237PC1 0.6011 · PC2 0.3959PC1 0.3578 · PC2 0.4033PC1 0.4126 · PC2 0.3184PC1 0.3878 · PC2 0.2929PC1 0.02069 · PC2 0.2085PC1 -0.3436 · PC2 0.7285PC1 -0.304 · PC2 0.6341PC1 0.305 · PC2 0.6356PC1 -0.3298 · PC2 0.7209PC1 -0.2112 · PC2 0.6388PC1 0.09117 · PC2 0.6339PC1 -0.09706 · PC2 0.6641PC1 -0.6072 · PC2 0.4305PC1 -0.03849 · PC2 0.648PC1 -0.2453 · PC2 0.3322PC1 0.062 · PC2 0.6557PC1 -0.2315 · PC2 0.7073PC1 -0.4294 · PC2 0.5971PC1 -0.2135 · PC2 0.5947PC1 -0.4047 · PC2 0.518PC1 0.2211 · PC2 -0.183PC1 0.1373 · PC2 0.2773PC1 -0.2011 · PC2 0.5881PC1 -0.2817 · PC2 0.6397PC1 0.1416 · PC2 0.7798PC1 0.1398 · PC2 0.7038PC1 0.4749 · PC2 0.7436PC1 1.429 · PC2 0.9767PC1 2.399 · PC2 0.9307PC1 2.269 · PC2 0.9574PC1 1.75 · PC2 0.9231PC1 1.882 · PC2 1.028PC1 3.545 · PC2 1.338PC1 3.352 · PC2 1.425PC1 2.565 · PC2 1.372PC1 3.622 · PC2 1.495PC1 3.346 · PC2 1.522PC1 2.803 · PC2 1.359PC1 2.89 · PC2 1.555PC1 3.948 · PC2 1.573PC1 3.23 · PC2 1.561PC1 3.626 · PC2 1.448PC1 3.911 · PC2 1.461PC1 2.96 · PC2 1.346PC1 3.207 · PC2 1.478PC1 4.111 · PC2 1.404PC1 3.452 · PC2 1.15PC1 4.13 · PC2 1.139PC1 3.589 · PC2 1.701PC1 3.152 · PC2 1.426PC1 3.124 · PC2 1.465PC1 3.082 · PC2 0.8375PC1 3.165 · PC2 0.9455PC1 3.383 · PC2 0.6755PC1 3.666 · PC2 0.8423PC1 3.928 · PC2 0.708PC1 3.429 · PC2 0.7899PC1 2.802 · PC2 1.504PC1 2.882 · PC2 1.466PC1 2.015 · PC2 1.206PC1 2.801 · PC2 1.496PC1 2.305 · PC2 1.246PC1 2.105 · PC2 1.401PC1 2.476 · PC2 1.339PC1 3.608 · PC2 1.161PC1 2.641 · PC2 1.354PC1 2.098 · PC2 1.328PC1 2.773 · PC2 1.398PC1 2.516 · PC2 1.233PC1 1.813 · PC2 1.205PC1 2.777 · PC2 1.278PC1 2.564 · PC2 1.355PC1 2.452 · PC2 1.336PC1 2.186 · PC2 0.7491PC1 2.269 · PC2 1.037PC1 3.007 · PC2 1.186PC1 2.568 · PC2 1.254PC1 3.075 · PC2 1.486PC1 2.579 · PC2 1.387PC1 2.445 · PC2 0.5241PC1 2.597 · PC2 1.451PC1 2.972 · PC2 1.097PC1 3.006 · PC2 1.477PC1 3.817 · PC2 1.334PC1 2.909 · PC2 1.323PC1 2.265 · PC2 0.9627PC1 2.516 · PC2 1.344PC1 2.98 · PC2 0.5108PC1 2.022 · PC2 0.9425PC1 1.534 · PC2 0.7803PC1 2.193 · PC2 0.8422PC1 0.4426 · PC2 -0.622PC1 1.997 · PC2 -1.132PC1 5.403 · PC2 -1.615PC1 8.532 · PC2 -2.158PC1 7.634 · PC2 -2.189PC1 8.819 · PC2 -2.492PC1 5.095 · PC2 -1.415PC1 9.833 · PC2 -3.14PC1 7.968 · PC2 -2.375PC1 4.868 · PC2 -1.32PC1 12.98 · PC2 -3.02PC1 7.017 · PC2 -2.233PC1 11.33 · PC2 -2.835PC1 11.05 · PC2 -2.739PC1 1.409 · PC2 -0.05693PC1 7.797 · PC2 -2.128PC1 (90.1%)PC2 (8.9%)332 scores
PCA explained variance0%25%50%75%100%PC1: 90.1% (cumulative 90.1%)1PC2: 8.9% (cumulative 99.0%)2PC3: 0.5% (cumulative 99.5%)3PC4: 0.4% (cumulative 99.9%)4PC5: 0.1% (cumulative 100.0%)5PC6: 0.0% (cumulative 100.0%)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)
X-Y spectral correlation 7
X_DG · DM spectral correlation-1-0.500.51absolute correlation envelopesigned correlationabsolute correlation1,0001,5002,0002,500|r|signed raxis · Pearson correlation scale
X_DG · NH4 spectral correlation-1-0.500.51absolute correlation envelopesigned correlationabsolute correlation1,0001,5002,0002,500|r|signed raxis · Pearson correlation scale
X_DG · N spectral correlation-1-0.500.51absolute correlation envelopesigned correlationabsolute correlation1,0001,5002,0002,500|r|signed raxis · Pearson correlation scale
Targetmax |r|axis @ maxmean |r||r| ≥ .5
DM0.6392,4920.41142.4%
NH40.612,1620.36436.9%
N0.5772,1660.34133.4%
CaO0.4032,1720.2190.0%
K2O0.5132,1680.2883.9%
MgO0.5472,1680.31810.9%
P2O50.5762,1680.3216.0%

FH standardized NIR absorbance

X_FH · NIR · XDS Foss FH standardized by PDS
FH standardized NIR absorbance spectra0.00.51.01.52.02.51,0001,5002,0002,500q05-q95 envelopeq25-q75 envelopemedian spectrummedianq25–q75q05–q95wavelength / nm1,100nm — median 0.4198 (q25–q75 0.2819–0.5097)1,110nm — median 0.4198 (q25–q75 0.2804–0.5068)1,120nm — median 0.4188 (q25–q75 0.2799–0.5053)1,130nm — median 0.4242 (q25–q75 0.2819–0.5104)1,140nm — median 0.4484 (q25–q75 0.2903–0.5294)1,150nm — median 0.4748 (q25–q75 0.3058–0.5543)1,160nm — median 0.485 (q25–q75 0.3143–0.5612)1,170nm — median 0.4885 (q25–q75 0.3174–0.562)1,180nm — median 0.4904 (q25–q75 0.3195–0.5639)1,190nm — median 0.4914 (q25–q75 0.3209–0.5635)1,200nm — median 0.4902 (q25–q75 0.3206–0.5607)1,210nm — median 0.4866 (q25–q75 0.3189–0.5568)1,220nm — median 0.4819 (q25–q75 0.3152–0.5522)1,230nm — median 0.4764 (q25–q75 0.3106–0.5452)1,240nm — median 0.4712 (q25–q75 0.3056–0.5394)1,250nm — median 0.4669 (q25–q75 0.302–0.5333)1,260nm — median 0.4629 (q25–q75 0.3007–0.5291)1,270nm — median 0.4618 (q25–q75 0.3001–0.5273)1,282nm — median 0.4639 (q25–q75 0.3–0.5292)1,292nm — median 0.4704 (q25–q75 0.3008–0.5356)1,302nm — median 0.4805 (q25–q75 0.304–0.5481)1,312nm — median 0.4927 (q25–q75 0.3113–0.5649)1,322nm — median 0.5172 (q25–q75 0.3223–0.5891)1,332nm — median 0.542 (q25–q75 0.3351–0.6185)1,342nm — median 0.5677 (q25–q75 0.3473–0.6494)1,352nm — median 0.59 (q25–q75 0.359–0.6747)1,362nm — median 0.6121 (q25–q75 0.3706–0.7021)1,372nm — median 0.6532 (q25–q75 0.3842–0.7495)1,382nm — median 0.73 (q25–q75 0.426–0.8463)1,392nm — median 0.8584 (q25–q75 0.4927–0.9929)1,402nm — median 0.9839 (q25–q75 0.5683–1.135)1,412nm — median 1.062 (q25–q75 0.6289–1.235)1,422nm — median 1.11 (q25–q75 0.6692–1.294)1,432nm — median 1.138 (q25–q75 0.6937–1.325)1,442nm — median 1.154 (q25–q75 0.7073–1.347)1,452nm — median 1.16 (q25–q75 0.7135–1.358)1,462nm — median 1.158 (q25–q75 0.7136–1.353)1,472nm — median 1.146 (q25–q75 0.7052–1.332)1,482nm — median 1.12 (q25–q75 0.6908–1.299)1,492nm — median 1.091 (q25–q75 0.6737–1.256)1,502nm — median 1.061 (q25–q75 0.6548–1.216)1,512nm — median 1.028 (q25–q75 0.6331–1.173)1,522nm — median 0.996 (q25–q75 0.613–1.133)1,532nm — median 0.9631 (q25–q75 0.5988–1.098)1,542nm — median 0.933 (q25–q75 0.5881–1.064)1,552nm — median 0.9047 (q25–q75 0.5786–1.03)1,562nm — median 0.8791 (q25–q75 0.5689–0.9987)1,572nm — median 0.8576 (q25–q75 0.5578–0.972)1,582nm — median 0.8421 (q25–q75 0.5474–0.947)1,592nm — median 0.8234 (q25–q75 0.5381–0.9257)1,602nm — median 0.8064 (q25–q75 0.5287–0.9084)1,612nm — median 0.7915 (q25–q75 0.5201–0.8914)1,622nm — median 0.7796 (q25–q75 0.5127–0.8777)1,634nm — median 0.7675 (q25–q75 0.5059–0.8655)1,644nm — median 0.7598 (q25–q75 0.5018–0.8564)1,654nm — median 0.7547 (q25–q75 0.4998–0.8502)1,664nm — median 0.7518 (q25–q75 0.5005–0.8467)1,674nm — median 0.7507 (q25–q75 0.5042–0.8452)1,684nm — median 0.7525 (q25–q75 0.5105–0.8461)1,694nm — median 0.756 (q25–q75 0.5145–0.8485)1,704nm — median 0.7611 (q25–q75 0.5197–0.853)1,714nm — median 0.769 (q25–q75 0.5277–0.862)1,724nm — median 0.7801 (q25–q75 0.5347–0.8736)1,734nm — median 0.791 (q25–q75 0.5402–0.8873)1,744nm — median 0.8034 (q25–q75 0.5465–0.9037)1,754nm — median 0.8196 (q25–q75 0.5558–0.9257)1,764nm — median 0.8378 (q25–q75 0.5645–0.9476)1,774nm — median 0.8499 (q25–q75 0.5697–0.9616)1,784nm — median 0.8579 (q25–q75 0.5724–0.9701)1,794nm — median 0.8596 (q25–q75 0.5721–0.972)1,804nm — median 0.8582 (q25–q75 0.5702–0.9706)1,814nm — median 0.857 (q25–q75 0.5686–0.9692)1,824nm — median 0.8577 (q25–q75 0.5678–0.9713)1,834nm — median 0.8649 (q25–q75 0.5692–0.9805)1,844nm — median 0.8822 (q25–q75 0.5754–0.9992)1,854nm — median 0.917 (q25–q75 0.5921–1.046)1,864nm — median 0.9942 (q25–q75 0.6236–1.134)1,874nm — median 1.106 (q25–q75 0.6934–1.288)1,884nm — median 1.266 (q25–q75 0.7966–1.487)1,894nm — median 1.432 (q25–q75 0.9319–1.677)1,904nm — median 1.527 (q25–q75 1.053–1.793)1,914nm — median 1.573 (q25–q75 1.126–1.852)1,924nm — median 1.592 (q25–q75 1.163–1.883)1,934nm — median 1.597 (q25–q75 1.171–1.892)1,944nm — median 1.589 (q25–q75 1.159–1.882)1,954nm — median 1.573 (q25–q75 1.136–1.862)1,964nm — median 1.554 (q25–q75 1.107–1.837)1,976nm — median 1.529 (q25–q75 1.071–1.798)1,986nm — median 1.5 (q25–q75 1.041–1.767)1,996nm — median 1.475 (q25–q75 1.013–1.73)2,006nm — median 1.451 (q25–q75 0.9888–1.697)2,016nm — median 1.425 (q25–q75 0.9687–1.664)2,026nm — median 1.402 (q25–q75 0.9541–1.632)2,036nm — median 1.381 (q25–q75 0.9429–1.602)2,046nm — median 1.359 (q25–q75 0.9349–1.571)2,056nm — median 1.338 (q25–q75 0.9262–1.543)2,066nm — median 1.315 (q25–q75 0.9167–1.512)2,076nm — median 1.296 (q25–q75 0.9078–1.483)2,086nm — median 1.28 (q25–q75 0.9–1.455)2,096nm — median 1.263 (q25–q75 0.8939–1.428)2,106nm — median 1.247 (q25–q75 0.8831–1.405)2,116nm — median 1.231 (q25–q75 0.8763–1.382)2,126nm — median 1.213 (q25–q75 0.8682–1.363)2,136nm — median 1.198 (q25–q75 0.8627–1.345)2,146nm — median 1.187 (q25–q75 0.8573–1.328)2,156nm — median 1.175 (q25–q75 0.8508–1.313)2,166nm — median 1.163 (q25–q75 0.8436–1.299)2,176nm — median 1.153 (q25–q75 0.835–1.288)2,186nm — median 1.145 (q25–q75 0.8245–1.278)2,196nm — median 1.136 (q25–q75 0.8142–1.27)2,206nm — median 1.129 (q25–q75 0.8062–1.264)2,216nm — median 1.127 (q25–q75 0.7977–1.263)2,226nm — median 1.127 (q25–q75 0.7944–1.264)2,236nm — median 1.133 (q25–q75 0.7993–1.269)2,246nm — median 1.144 (q25–q75 0.8128–1.28)2,256nm — median 1.16 (q25–q75 0.832–1.298)2,266nm — median 1.174 (q25–q75 0.8484–1.314)2,276nm — median 1.185 (q25–q75 0.8592–1.327)2,286nm — median 1.194 (q25–q75 0.8664–1.34)2,296nm — median 1.209 (q25–q75 0.8776–1.357)2,306nm — median 1.227 (q25–q75 0.8923–1.376)2,316nm — median 1.244 (q25–q75 0.9037–1.396)2,328nm — median 1.259 (q25–q75 0.9074–1.417)2,338nm — median 1.274 (q25–q75 0.9163–1.435)2,348nm — median 1.289 (q25–q75 0.9287–1.457)2,358nm — median 1.303 (q25–q75 0.9364–1.477)2,368nm — median 1.316 (q25–q75 0.9439–1.496)2,378nm — median 1.332 (q25–q75 0.9548–1.518)2,388nm — median 1.349 (q25–q75 0.9678–1.541)2,398nm — median 1.366 (q25–q75 0.9825–1.564)2,408nm — median 1.385 (q25–q75 0.9982–1.587)2,418nm — median 1.406 (q25–q75 1.016–1.612)2,428nm — median 1.428 (q25–q75 1.036–1.637)2,438nm — median 1.45 (q25–q75 1.058–1.662)2,448nm — median 1.47 (q25–q75 1.081–1.682)2,458nm — median 1.484 (q25–q75 1.105–1.7)2,468nm — median 1.502 (q25–q75 1.128–1.72)2,478nm — median 1.518 (q25–q75 1.148–1.735)2,488nm — median 1.534 (q25–q75 1.165–1.748)2,498nm — median 1.541 (q25–q75 1.172–1.757)

Sampling

Wavelengths700
Axis range1,100–2,498 nm
Mean spacing2 nm
Griduniform
Observations332

Signal & quality

Value range0.0877 – 2.43
Mean range0.419 – 1.52
Mean level0.9354
Area1308
PTP1.104
Noise RMS7.0566e-05
SNR1.3e+04
SNR dB8e+01 dB
Dynamic range1.1
Smoothness0.0005369
Saturated0.0%
X-outliers155

Integrity & artefacts

NaN ratio0.00%
Inf count0
Zero ratio0.00%
Spike count11,366
Spike rate4.90%
Jump count1,871
Jump rate0.81%
Clip fraction0.00%

Shape & reference

Baseline slope0.92426
Curvature RMS0.00055039
D1 RMS0.0067664
RMS to mean0.25253
RMS p950.5416
SAM to mean0.044932
SAM p950.14436
Affine offset p950.21192
Affine gain p95 Δ0.5441
Affine residual p950.053534
Xcorr lag p950

Outliers & repeatability

PCA Q p95/median7.3
Hotelling T2 p95/median4.8
Mahalanobis H p95/median2.2
Repeat groups0

Dimensionality (PCA)

Effective rank1.2
PCs → 95% var1
PCs → 99% var2
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_reflectance0.935411.00fortValeur 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_curve1307.71.00fortValeur 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_peak1.10440.00faibleVariabilité forteSaturationmax(mean_spectrum) - min(mean_spectrum)alert increases when dynamic range is abnormally flat
Amplitude globaleVarianceamplitude.variance0.200030.00faibleNormal ou hétérogèneMauvais contactvar(X finite)alert increases when variance/dynamic range is abnormally flat
BruitNoise RMSnoise.noise_rms7.0566e-050.00faibleStableLampe, détecteurmedian MAD(second derivative) * 1.4826 / sqrt(6)alert = noise_rms / signal_scale, saturated at 5%
BruitSNRnoise.snr132560.00faibleBon signalAcquisitionmean(abs(X)) / noise_rmsalert decreases with SNR dB; >=40 dB is treated as low alert
BruitBandwise SNRnoise.bandwise_snr_min13100.00faibleZone 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_count11,3661.00fortArtefactsCosmic rays, splicecount robust outliers in second derivativealert follows spike_rate, saturated at 1%
Artefacts locauxSpike rateartefacts.spike_rate4.9%1.00fortSpectre suspectInterpolationspike_count / (n_samples * (n_features - 2))alert = min(1, spike_rate / 0.01)
Artefacts locauxJump countartefacts.jump_count1,8710.81fortRaccord détecteurSplicecount robust outliers in first derivativealert follows jump_rate, saturated at 1%
Artefacts locauxJump rateartefacts.jump_rate0.806%0.81fortProblème spectralCalibrationjump_count / (n_samples * (n_features - 1))alert = min(1, jump_rate / 0.01)
Artefacts locauxClip fractionartefacts.clip_fraction0.000861%0.00faibleNormalDétecteur saturéfraction of finite cells equal to repeated min/max extremaalert = min(1, clip_fraction / 0.01)
Forme spectraleBaseline slopeshape.baseline_slope0.924261.00fortDériveÉclairementlinear slope of mean_spectrum over normalized axisalert = abs(slope / signal_scale), saturated at 0.5
Forme spectraleCurvature RMSshape.curvature_rms0.000550390.05faibleLisseFond, splicemedian RMS(second derivative per spectrum)alert = curvature_rms / signal_scale, saturated at 1%
Forme spectraleD1 RMSshape.d1_rms0.00676640.12faiblePlatBiologie ou artefactmedian RMS(first derivative per spectrum)alert = d1_rms / signal_scale, saturated at 5%
Outliers multivariésPCA Q (SPE)outliers.pca_q_ratio7.32320.92fortSpectre atypiqueArtefact, mélangep95(Q/SPE residual) / median(Q/SPE residual)alert = min(1, pca_q_ratio / 8)
Outliers multivariésHotelling T²outliers.hotelling_t2_ratio4.80770.60moyenExtrême mais cohérentVariabilité naturellep95(Hotelling T2) / median(Hotelling T2)alert = min(1, hotelling_t2_ratio / 8)
Outliers multivariésMahalanobis Houtliers.mahalanobis_h_ratio2.19270.55moyenOutlier globalDomaine différentp95(sqrt(T2)) / median(sqrt(T2))alert = min(1, mahalanobis_h_ratio / 4)
Comparaison à référenceRMS to mean spectrumreference.rms_to_mean_spectrum_p950.54161.00fortSpectre 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_p950.144360.41faibleSimilaireFond, géométriep95 spectral angle to dataset mean spectrumalert = min(1, SAM_p95 / 0.35 rad)
RépétabilitéRMS intra-IDrepeatability.rms_intra_id—0.00faibleStablePositionnementmedian RMS distance to repeated-sample centroidalert = RMS_intra_ID / signal_scale, saturated at 10%
RépétabilitéSAM intra-IDrepeatability.sam_intra_id—0.00faibleStableAcquisitionmedian SAM to repeated-sample centroidalert = min(1, SAM_intra_ID / 0.15 rad)
RépétabilitéCV intra-IDrepeatability.cv_intra_id—0.00faibleStableOpérateurmedian within-ID band CValert = min(1, CV_intra_ID / 0.25)
Structure du datasetPCA score densitystructure.pca_score_density6.10431.00fortSous-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_p952.99381.00fortSpectre 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_p950.583581.00fortSpectre atypiqueDiverses causesp95 IsolationForest anomaly score on PCA scoresalert follows structure complexity; raw score is implementation-dependent
X_FH PCA score plot-20-1001020-10-505PC1 -6.104 · PC2 -1.028PC1 -3.483 · PC2 -0.7543PC1 -5.052 · PC2 -0.8324PC1 -4.027 · PC2 -0.5137PC1 -4.83 · PC2 -0.5079PC1 -5.146 · PC2 0.2986PC1 -1.827 · PC2 -0.1505PC1 -0.6311 · PC2 -0.3651PC1 -3.852 · PC2 0.3556PC1 -5.112 · PC2 1.165PC1 -8.401 · PC2 1.776PC1 -3.955 · PC2 0.07585PC1 -2.226 · PC2 -0.4609PC1 -1.811 · PC2 0.2561PC1 1.083 · PC2 -0.09328PC1 -4.809 · PC2 0.438PC1 -0.793 · PC2 0.0065PC1 -6.012 · PC2 0.8629PC1 -10.15 · PC2 1.312PC1 -8.525 · PC2 0.9533PC1 -9.056 · PC2 1.152PC1 -10.51 · PC2 1.953PC1 -10.8 · PC2 2.28PC1 -11.24 · PC2 0.07595PC1 -8.369 · PC2 0.3303PC1 -2.663 · PC2 -0.2225PC1 -3.089 · PC2 -0.4963PC1 -5.887 · PC2 0.8026PC1 -10.03 · PC2 0.7512PC1 -4.46 · PC2 -0.5282PC1 -9.42 · PC2 0.4552PC1 -12.42 · PC2 1.387PC1 -1.448 · PC2 -0.9373PC1 -12.4 · PC2 1.289PC1 -0.4047 · PC2 1.078PC1 1.862 · PC2 1.311PC1 -3.448 · PC2 0.4124PC1 -3.88 · PC2 0.6622PC1 -9.839 · PC2 1.871PC1 -7.294 · PC2 0.5931PC1 -1.506 · PC2 -0.4594PC1 -2.182 · PC2 0.2847PC1 -0.9838 · PC2 0.02467PC1 1.075 · PC2 0.2735PC1 -7.221 · PC2 0.7236PC1 -6.545 · PC2 0.7423PC1 -4.087 · PC2 -0.3931PC1 -10.05 · PC2 1.002PC1 -5.98 · PC2 0.554PC1 -8.675 · PC2 1.405PC1 -10.76 · PC2 1.32PC1 -9.82 · PC2 0.942PC1 -6.802 · PC2 0.8481PC1 -6.125 · PC2 0.5532PC1 0.3982 · PC2 -0.2648PC1 -4.538 · PC2 0.6829PC1 -5.747 · PC2 0.03594PC1 -8.637 · PC2 0.6795PC1 -8.309 · PC2 -0.6691PC1 -3.801 · PC2 -0.06201PC1 -10.17 · PC2 1.882PC1 -3.379 · PC2 0.3766PC1 -0.4013 · PC2 -0.6374PC1 -8.232 · PC2 0.1981PC1 0.1311 · PC2 -0.7243PC1 -1.821 · PC2 -0.6474PC1 0.3443 · PC2 -0.3583PC1 0.0994 · PC2 -0.3489PC1 -7.481 · PC2 0.1155PC1 -0.6027 · PC2 -0.7169PC1 -4.755 · PC2 -0.4754PC1 -5.364 · PC2 0.1963PC1 -4.869 · PC2 1.631PC1 -3.596 · PC2 1.241PC1 -4.655 · PC2 1.144PC1 -3.874 · PC2 1.322PC1 -1.815 · PC2 -0.4816PC1 -8.027 · PC2 0.3624PC1 -1.069 · PC2 -0.4914PC1 -6.876 · PC2 0.2396PC1 -10.99 · PC2 0.1841PC1 -5.386 · PC2 1.282PC1 -5.359 · PC2 -0.1631PC1 -1.13 · PC2 -0.3543PC1 -5.099 · PC2 -0.5493PC1 -8.281 · PC2 -0.4012PC1 -4.891 · PC2 -0.9478PC1 -8.189 · PC2 0.3915PC1 -9.211 · PC2 0.8136PC1 -5.927 · PC2 0.2363PC1 -8.535 · PC2 0.1877PC1 -8.798 · PC2 1.498PC1 -5.071 · PC2 -1.204PC1 -6.222 · PC2 0.6436PC1 -6.735 · PC2 0.3492PC1 -8.518 · PC2 1.053PC1 -6.455 · PC2 0.2727PC1 -6.999 · PC2 0.8668PC1 -2.146 · PC2 -0.3372PC1 -5.597 · PC2 -1.236PC1 -6.99 · PC2 0.16PC1 -2.028 · PC2 -0.07966PC1 -5.609 · PC2 0.351PC1 1.151 · PC2 0.23PC1 -0.6851 · PC2 0.4908PC1 -6.284 · PC2 -0.07542PC1 -7.059 · PC2 -0.5978PC1 -13.08 · PC2 2.167PC1 -5.122 · PC2 0.1501PC1 -7.79 · PC2 0.3409PC1 -3.058 · PC2 0.777PC1 -13.07 · PC2 2.068PC1 -7.483 · PC2 0.9PC1 -5.468 · PC2 0.00427PC1 -3.924 · PC2 1.206PC1 -4.549 · PC2 0.6502PC1 -4.9 · PC2 0.5135PC1 -10.29 · PC2 0.2849PC1 -6.508 · PC2 1.166PC1 -4.74 · PC2 -0.07754PC1 -4.802 · PC2 0.3826PC1 -4.178 · PC2 -1.415PC1 -6.69 · PC2 0.4233PC1 -6.328 · PC2 0.3592PC1 -1.367 · PC2 -0.143PC1 -6.574 · PC2 -0.8136PC1 -8.643 · PC2 1.892PC1 -8.943 · PC2 1.721PC1 -9.894 · PC2 1.194PC1 -6.884 · PC2 0.736PC1 -4.836 · PC2 -0.02334PC1 0.2275 · PC2 -0.4237PC1 -7.267 · PC2 0.2807PC1 -3.745 · PC2 -0.834PC1 -5.661 · PC2 0.4871PC1 -7.526 · PC2 0.5676PC1 -5.98 · PC2 -0.3372PC1 -4.158 · PC2 -1.976PC1 -6.982 · PC2 -1.083PC1 -6.842 · PC2 -1.702PC1 -3.154 · PC2 0.2601PC1 -6.297 · PC2 0.1902PC1 -3.548 · PC2 -0.3414PC1 -1.781 · PC2 -0.0461PC1 -3.631 · PC2 0.6962PC1 -7.78 · PC2 1.184PC1 -4.296 · PC2 0.5767PC1 -5.251 · PC2 1.097PC1 -5.806 · PC2 0.4708PC1 -6.312 · PC2 1.559PC1 0.1308 · PC2 0.9321PC1 -7.787 · PC2 0.8704PC1 8.424 · PC2 0.1328PC1 4.172 · PC2 0.3457PC1 -11.43 · PC2 1.297PC1 -14.93 · PC2 0.768PC1 5.243 · PC2 -0.3173PC1 2.768 · PC2 0.3514PC1 -6.595 · PC2 1.575PC1 -5.486 · PC2 1.011PC1 -2.903 · PC2 0.8084PC1 -4.868 · PC2 1.75PC1 -6.926 · PC2 2.115PC1 7.018 · PC2 0.07075PC1 5.295 · PC2 0.7935PC1 -7.25 · PC2 0.7337PC1 -8.645 · PC2 1.91PC1 -8.341 · PC2 -0.3593PC1 -5.852 · PC2 1.364PC1 -8.296 · PC2 1.021PC1 -7.392 · PC2 0.2272PC1 -5.703 · PC2 0.7399PC1 -7.417 · PC2 0.6536PC1 -8.416 · PC2 1.999PC1 -6.758 · PC2 -0.4073PC1 -8.923 · PC2 1.782PC1 -1.969 · PC2 -0.4813PC1 -1.067 · PC2 -0.682PC1 7.602 · PC2 -0.1798PC1 -10.03 · PC2 -0.07694PC1 -1.146 · PC2 -0.54PC1 -2.498 · PC2 -0.2217PC1 -1.871 · PC2 1.136PC1 2.441 · PC2 1.374PC1 12.98 · PC2 0.3991PC1 10.61 · PC2 0.351PC1 6.263 · PC2 0.9876PC1 5.779 · PC2 0.4487PC1 -5.468 · PC2 0.2374PC1 15.14 · PC2 0.5949PC1 2.085 · PC2 0.9878PC1 8.427 · PC2 0.551PC1 10.73 · PC2 0.4336PC1 6.735 · PC2 0.3235PC1 10.57 · PC2 0.2022PC1 2.569 · PC2 1.23PC1 14.51 · PC2 0.46PC1 10.49 · PC2 -0.5352PC1 11.5 · PC2 0.002298PC1 8.468 · PC2 0.2979PC1 9.958 · PC2 -0.2722PC1 2.289 · PC2 -0.2558PC1 7.839 · PC2 0.2273PC1 1.038 · PC2 0.01145PC1 7.055 · PC2 -0.4271PC1 13.3 · PC2 0.4832PC1 5.35 · PC2 0.1293PC1 7.143 · PC2 0.4771PC1 7.343 · PC2 0.219PC1 16.14 · PC2 0.1917PC1 11 · PC2 -0.1865PC1 13.04 · PC2 -0.1297PC1 16.1 · PC2 -0.1792PC1 8.712 · PC2 0.5622PC1 12.69 · PC2 0.2228PC1 13.11 · PC2 0.4066PC1 11.3 · PC2 0.2064PC1 11.66 · PC2 -0.1636PC1 10.33 · PC2 -0.2733PC1 14.26 · PC2 -0.1592PC1 11.19 · PC2 0.3583PC1 11.33 · PC2 -0.3709PC1 13.08 · PC2 0.1695PC1 13.1 · PC2 0.3029PC1 13.62 · PC2 0.1938PC1 10.69 · PC2 -0.08993PC1 12.9 · PC2 0.111PC1 9.223 · PC2 -0.07519PC1 11.87 · PC2 -0.2259PC1 12.58 · PC2 0.1648PC1 0.1349 · PC2 1.755PC1 3.026 · PC2 0.9629PC1 -2.106 · PC2 2.203PC1 -2.332 · PC2 2.414PC1 6.368 · PC2 0.5234PC1 -2.428 · PC2 1.727PC1 16.36 · PC2 0.4467PC1 15.26 · PC2 0.5193PC1 15.91 · PC2 0.5268PC1 4.836 · PC2 0.7058PC1 1.569 · PC2 0.5791PC1 3.284 · PC2 0.8061PC1 4.142 · PC2 0.6235PC1 16.61 · PC2 0.4807PC1 15.2 · PC2 0.7108PC1 2.73 · PC2 0.3395PC1 10.97 · PC2 0.1512PC1 5.825 · PC2 0.8171PC1 6.005 · PC2 0.7447PC1 4.967 · PC2 1.207PC1 6.779 · PC2 1.377PC1 7.254 · PC2 0.9333PC1 14.4 · PC2 -0.2046PC1 3.973 · PC2 -0.3997PC1 -4.107 · PC2 -0.1933PC1 -5.261 · PC2 0.03512PC1 -1.702 · PC2 0.1052PC1 7.03 · PC2 -0.3969PC1 -0.9589 · PC2 -0.04247PC1 0.5952 · PC2 -0.3868PC1 9.074 · PC2 -0.1955PC1 11.45 · PC2 -0.2999PC1 4.168 · PC2 -0.139PC1 9.408 · PC2 0.1044PC1 6.215 · PC2 -0.4839PC1 11.03 · PC2 -0.1461PC1 10.56 · PC2 -0.1314PC1 4.795 · PC2 -0.2946PC1 5.092 · PC2 -0.3153PC1 10.17 · PC2 0.08639PC1 4.213 · PC2 -0.967PC1 2.302 · PC2 -0.8343PC1 1.631 · PC2 -1.227PC1 9.451 · PC2 -0.2119PC1 12.96 · PC2 -0.4223PC1 10.81 · PC2 -0.3403PC1 0.7773 · PC2 -0.4226PC1 2.638 · PC2 -0.2632PC1 -0.07466 · PC2 -0.8103PC1 3.088 · PC2 -0.9651PC1 2.668 · PC2 -1.282PC1 -5.209 · PC2 -0.5046PC1 11.7 · PC2 0.01996PC1 10.57 · PC2 0.1357PC1 13.55 · PC2 -0.356PC1 11.3 · PC2 0.05588PC1 13.21 · PC2 -0.2571PC1 14.61 · PC2 -0.2805PC1 14 · PC2 -0.262PC1 6.401 · PC2 -0.1194PC1 12.02 · PC2 -0.05289PC1 12.98 · PC2 -0.1146PC1 14.36 · PC2 -0.581PC1 15.39 · PC2 -0.4711PC1 14.36 · PC2 -0.4428PC1 14.5 · PC2 -0.5576PC1 13.76 · PC2 -0.5598PC1 12.59 · PC2 -0.2586PC1 12.78 · PC2 -0.5859PC1 14.44 · PC2 -0.5726PC1 9.046 · PC2 -0.5334PC1 4.896 · PC2 0.0867PC1 7.133 · PC2 -0.1266PC1 9.253 · PC2 -0.2765PC1 0.6837 · PC2 -0.3248PC1 1.321 · PC2 -0.3314PC1 -1.697 · PC2 -0.1754PC1 6.692 · PC2 0.1291PC1 -3.216 · PC2 0.04267PC1 3.179 · PC2 -0.3343PC1 2.646 · PC2 0.0495PC1 9.431 · PC2 0.1617PC1 3.792 · PC2 -1.305PC1 14.27 · PC2 -0.7526PC1 14.23 · PC2 -0.7191PC1 8.753 · PC2 -0.5949PC1 -12.6 · PC2 -0.5831PC1 -7.374 · PC2 -0.6562PC1 -0.03848 · PC2 -3.989PC1 -4.977 · PC2 -5.992PC1 -8.481 · PC2 -6.369PC1 -6.893 · PC2 -5.768PC1 -7.736 · PC2 -2.075PC1 -9.7 · PC2 -8.508PC1 -8.709 · PC2 -4.805PC1 -7.577 · PC2 -1.785PC1 -10.56 · PC2 -9.272PC1 -4.801 · PC2 -5.209PC1 -8.949 · PC2 -8.969PC1 -11.54 · PC2 -7.58PC1 -2.671 · PC2 -1.017PC1 -4.01 · PC2 -4.478PC1 (96.2%)PC2 (3.2%)332 scores
PCA explained variance0%25%50%75%100%PC1: 96.2% (cumulative 96.2%)1PC2: 3.2% (cumulative 99.4%)2PC3: 0.4% (cumulative 99.8%)3PC4: 0.2% (cumulative 99.9%)4PC5: 0.0% (cumulative 100.0%)5PC6: 0.0% (cumulative 100.0%)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)
X-Y spectral correlation 7
X_FH · DM spectral correlation-1-0.500.51absolute correlation envelopesigned correlationabsolute correlation1,0001,5002,0002,500|r|signed raxis · Pearson correlation scale
X_FH · NH4 spectral correlation-1-0.500.51absolute correlation envelopesigned correlationabsolute correlation1,0001,5002,0002,500|r|signed raxis · Pearson correlation scale
X_FH · N spectral correlation-1-0.500.51absolute correlation envelopesigned correlationabsolute correlation1,0001,5002,0002,500|r|signed raxis · Pearson correlation scale
Targetmax |r|axis @ maxmean |r||r| ≥ .5
DM0.9531,4560.881100.0%
NH40.7461,4020.669100.0%
N0.8881,4020.821100.0%
CaO0.721,3820.6697.7%
K2O0.8321,3800.784100.0%
MgO0.8031,3900.745100.0%
P2O50.8171,3820.758100.0%

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 8

type_manure

target · categorical
type_manure classescattle manurecattle manure: 196196poultry manurepoultry manure: 136136
n / missing332 / 0
Classes2
Balance (entropy)0.98
Imbalance ratio1
Top classcattle manure (196)

DM

target · numeric
DM distribution020406011.26 – 14.22: 414.22 – 17.19: 2717.19 – 20.16: 5420.16 – 23.13: 3923.13 – 26.09: 3626.09 – 29.06: 1129.06 – 32.03: 1232.03 – 35: 635 – 37.96: 537.96 – 40.93: 940.93 – 43.9: 1043.9 – 46.87: 1446.87 – 49.84: 949.84 – 52.8: 852.8 – 55.77: 955.77 – 58.74: 658.74 – 61.71: 1161.71 – 64.67: 1964.67 – 67.64: 667.64 – 70.61: 970.61 – 73.58: 873.58 – 76.54: 876.54 – 79.51: 579.51 – 82.48: 7020406080100
n / missing332 / 0
Mean ± SD37.29 ± 20.1
Median27.89
Range11.26 – 82.48
CV0.538
Skew / kurtosis0.66 / -0.97
Normal?no

NH4

target · numeric
NH4 distribution0501000.001 – 0.04621: 990.04621 – 0.09142: 640.09142 – 0.1366: 210.1366 – 0.1818: 80.1818 – 0.227: 70.227 – 0.2723: 40.2723 – 0.3175: 60.3175 – 0.3627: 90.3627 – 0.4079: 80.4079 – 0.4531: 100.4531 – 0.4983: 110.4983 – 0.5435: 90.5435 – 0.5887: 140.5887 – 0.6339: 130.6339 – 0.6791: 150.6791 – 0.7243: 100.7243 – 0.7695: 60.7695 – 0.8148: 60.8148 – 0.86: 50.86 – 0.9052: 30.9052 – 0.9504: 10.9504 – 0.9956: 20.9956 – 1.041: 01.041 – 1.086: 10.00.51.01.5
n / missing332 / 0
Mean ± SD0.2624 ± 0.276
Median0.095
Range0.001 – 1.086
CV1.05
Skew / kurtosis0.83 / -0.7
Normal?no

N

target · numeric
N distribution0501000.255 – 0.4174: 390.4174 – 0.5797: 970.5797 – 0.7421: 410.7421 – 0.9045: 160.9045 – 1.067: 51.067 – 1.229: 21.229 – 1.392: 11.392 – 1.554: 31.554 – 1.716: 61.716 – 1.879: 51.879 – 2.041: 112.041 – 2.204: 82.204 – 2.366: 112.366 – 2.528: 122.528 – 2.691: 132.691 – 2.853: 102.853 – 3.015: 133.015 – 3.178: 123.178 – 3.34: 133.34 – 3.503: 73.503 – 3.665: 43.665 – 3.827: 23.827 – 3.99: 03.99 – 4.152: 1012345
n / missing332 / 0
Mean ± SD1.369 ± 1.09
Median0.672
Range0.255 – 4.152
CV0.798
Skew / kurtosis0.71 / -1.1
Normal?no

CaO

target · numeric
CaO distribution02040600.094 – 0.2196: 380.2196 – 0.3452: 450.3452 – 0.4708: 160.4708 – 0.5963: 110.5963 – 0.7219: 90.7219 – 0.8475: 60.8475 – 0.9731: 30.9731 – 1.099: 71.099 – 1.224: 61.224 – 1.35: 31.35 – 1.475: 31.475 – 1.601: 41.601 – 1.727: 01.727 – 1.852: 11.852 – 1.978: 01.978 – 2.103: 02.103 – 2.229: 02.229 – 2.355: 22.355 – 2.48: 02.48 – 2.606: 22.606 – 2.731: 02.731 – 2.857: 02.857 – 2.982: 12.982 – 3.108: 101234
n / missing332 / 174
Mean ± SD0.5749 ± 0.556
Median0.33
Range0.094 – 3.108
CV0.968
Skew / kurtosis2.2 / 5.6
Normal?no

K2O

target · numeric
K2O distribution01020300.187 – 0.3394: 80.3394 – 0.4918: 170.4918 – 0.6442: 270.6442 – 0.7967: 210.7967 – 0.9491: 220.9491 – 1.102: 131.102 – 1.254: 121.254 – 1.406: 41.406 – 1.559: 61.559 – 1.711: 81.711 – 1.864: 41.864 – 2.016: 12.016 – 2.168: 22.168 – 2.321: 22.321 – 2.473: 42.473 – 2.626: 12.626 – 2.778: 32.778 – 2.93: 02.93 – 3.083: 23.083 – 3.235: 03.235 – 3.388: 03.388 – 3.54: 03.54 – 3.693: 03.693 – 3.845: 101234
n / missing332 / 174
Mean ± SD1.022 ± 0.648
Median0.8255
Range0.187 – 3.845
CV0.634
Skew / kurtosis1.6 / 2.8
Normal?no

MgO

target · numeric
MgO distribution020400.062 – 0.1033: 310.1033 – 0.1447: 400.1447 – 0.186: 240.186 – 0.2273: 160.2273 – 0.2687: 140.2687 – 0.31: 10.31 – 0.3513: 50.3513 – 0.3927: 20.3927 – 0.434: 30.434 – 0.4753: 30.4753 – 0.5167: 20.5167 – 0.558: 30.558 – 0.5993: 50.5993 – 0.6407: 30.6407 – 0.682: 20.682 – 0.7233: 10.7233 – 0.7647: 00.7647 – 0.806: 00.806 – 0.8473: 10.8473 – 0.8887: 00.8887 – 0.93: 00.93 – 0.9713: 00.9713 – 1.013: 01.013 – 1.054: 20.000.250.500.751.001.25
n / missing332 / 174
Mean ± SD0.2266 ± 0.186
Median0.1555
Range0.062 – 1.054
CV0.822
Skew / kurtosis2.1 / 4.6
Normal?no

P2O5

target · numeric
P2O5 distribution02550750.091 – 0.213: 740.213 – 0.3351: 410.3351 – 0.4571: 80.4571 – 0.5792: 40.5792 – 0.7012: 30.7012 – 0.8232: 00.8232 – 0.9453: 10.9453 – 1.067: 31.067 – 1.189: 21.189 – 1.311: 11.311 – 1.433: 31.433 – 1.555: 31.555 – 1.678: 61.678 – 1.8: 31.8 – 1.922: 01.922 – 2.044: 02.044 – 2.166: 12.166 – 2.288: 22.288 – 2.41: 02.41 – 2.532: 12.532 – 2.654: 12.654 – 2.776: 02.776 – 2.898: 02.898 – 3.02: 101234
n / missing332 / 174
Mean ± SD0.4767 ± 0.585
Median0.2235
Range0.091 – 3.02
CV1.23
Skew / kurtosis2.2 / 4.2
Normal?no

Metadata 3

spectrometer

metadata · categorical
spectrometer classesNIRFlex LDARNIRFlex LDAR: 156156XDS FOSS ARVALISXDS FOSS ARVALIS: 9696XDS FOSS CIRADXDS FOSS CIRAD: 8080
n / missing332 / 0
Classes3
Balance (entropy)0.96
Imbalance ratio2
Top classNIRFlex LDAR (156)

township

metadata · categorical
township classesSAINT PAULSAINT PAUL: 2323SAINT ANDRESAINT ANDRE: 2020MOREACMOREAC: 1717LA POSSESSIONLA POSSESSION: 1717LA MOUCHELA MOUCHE: 1515RUFFIACRUFFIAC: 1111CALLACCALLAC: 99PENGUILYPENGUILY: 99BUBRYBUBRY: 88DERVALDERVAL: 77+10 more+10 more: 5555
n / missing332 / 0
Classes114
Balance (entropy)0.89
Imbalance ratio23
Top classSAINT PAUL (23)

country

metadata · categorical
country classesmainland Francemainland France: 252252Reunion IslandReunion Island: 8080
n / missing332 / 0
Classes2
Balance (entropy)0.8
Imbalance ratio3
Top classmainland France (252)
Constant metadata 19
  • standard_cells_filespectra_standard_cells.tab
  • api_urlhttps://entrepot.recherche.data.gouv.fr/api/datasets/:persistentId/?persistentId=doi:10.15454/JIGO8R
  • article_urlhttps://www.sciencedirect.com/science/article/pii/S2352340920315274
  • doi_dataset10.15454/JIGO8R
  • doi_publication10.1016/j.dib.2020.106647
  • licenseCreative Commons Zero v1.0 Universal
  • license_idcc0-1.0
  • license_urlhttps://creativecommons.org/publicdomain/zero/1.0/
  • rights_statusexplicit_open
  • usage_scopepublic_domain
  • public_release_allowedTrue
  • spectroscopy_typeNIR
  • axis_unitnm
  • axis_min1,100
  • axis_max2,498
  • n_points_original700
  • signal_typeabsorbance standardized by PDS
  • decoderpandas.read_excel/openpyxl
  • notesThree main original-format Dataverse files are OOXML Excel workbooks despite .tab extensions, standard cells retained in raw manifest only.

Alignment

Alignment levelsample
Sample id availableyes
Samples332
Observations (total)664
Reps per samplemin 1 · mean 1 · max 1

Provenance & citation

ContributorDataset of chemical and Near-Infrared spectroscopy measurements of fresh and dried poultry and cattle manure
Origin · dataverse [open]10.15454/JIGO8R — Portail Data INRAE
Origin · url [open]https://creativecommons.org/publicdomain/zero/1.0/
Origin · url [open]https://www.sciencedirect.com/science/article/pii/S2352340920315274
Origin · script [manual]source_to_standard.py — standardization script (maintainer-only)

Governance & integrity

Tierprivate
LicenseLicenseRef-not-cleared
Permitted useResearch and benchmarking.
Access policyManual download / private-use-only per source.
RedistributionDataverse API terms report Creative Commons CC0 license.
Content version1.0.0
Schema / protocol2.0
Content hash821448bc77e70f69…
Processing hash30ebf048011538c7…
Metadata hash4ab8cd68f1c29b86…

Load this dataset

# pip install nirs4all-datasets
from nirs4all_datasets import get

# private dataset — export requires a Dataverse token
ds = get("recherche_data_gouv_fresh_dried_manure_nir_jigo8r", 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.