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Mendeley intact mango raw NIR

mendeley · NIR

Mendeley intact mango raw NIR. v2.0 standardized NIRS package: 1 spectral source(s), 4 declared target(s). Auto-generated from dataset_card.json (verify before publication).

nirv2mendeley
186
samples
1,557
wavelengths
1
sources
4
targets
16
metadata
NIR
family

Dataset property explorer

Mean profile risk0.59
Highest axisArtefacts locaux · 1.00
Diagnostics8
Sources profiled1
Mendeley intact mango raw NIR property profile0.250.50.751integritynoiseartefactsbaselinePCA outliersreferencerepeatabilitystructureMendeley intact mango raw NIR profileintegrity: 0.00noise: 0.00artefacts: 1.00baseline: 1.00PCA outliers: 1.00reference: 0.71repeatability: 0.00structure: 1.00Mendeley intact…0 center · 1 outer ring · outward = stronger anomaly / heterogeneity signal

Profile axes

Intégrité0.00
Artefacts locaux1.00
Bruit0.00
Outliers PCA1.00
Distance à la référence0.71
Répétabilité0.00
Baseline / forme1.00
Structure multi-régimes1.00
Diagnostic hypotheses00.250.50.751hypothesis scoreErreur calibration / référenc…Erreur calibration / référence blanche: 0.830.83Splice / raccord détecteursSplice / raccord détecteurs: 0.800.80Fond différentFond différent: 0.780.78Erreur interpolation / réécha…Erreur interpolation / rééchantillonnage: 0.720.72Signature VERA25-likeSignature VERA25-like: 0.710.71Spectre hors domaine valideSpectre hors domaine valide: 0.680.68Différence de sonde / géométr…Différence de sonde / géométrie: 0.680.68Dataset multi-régimesDataset multi-régimes: 0.660.66
DiagnosticScoreForceSignauxInterprétation probable
Erreur calibration / référence blancheX0.83fortePCA Q 1.00, Mahalanobis / T2 1.00, Baseline/mean/area 1.00Décalage systématique entre campagnes, instruments ou référence blanche.
Splice / raccord détecteursX0.80fortePCA Q 1.00, Jump rate 1.00, SNR non dégradé 1.00Rupture aux jonctions de détecteurs, calibration locale ou sonde différente.
Fond différentX0.78fortePCA Q 1.00, Mahalanobis / T2 1.00, Baseline/mean/area 1.00Effet systématique du support, blanc/noir, transflectance ou environnement de mesure.
Erreur interpolation / rééchantillonnageX0.72fortePCA Q 1.00, Jump rate 1.00, SNR normal/élevé 1.00Artefacts numériques ou traitement spectral incorrect.
Signature VERA25-likeX0.71moyennePCA Q 1.00, Mahalanobis / T2 1.00, Jump rate 1.00Combinaison possible changement de sonde + splice, amplifiée par géométrie, fond ou calibration.
Spectre hors domaine valideX0.68moyenneMahalanobis / T2 1.00, Structure PCA 1.00, RMS/SAM référence 0.71Variété, espèce, lot ou condition différente mais physiquement plausible.
Différence de sonde / géométrieX0.68moyennePCA Q 1.00, Mahalanobis / T2 1.00, Baseline/mean/area 1.00Modification de l'illumination, collecte, angle ou distance sonde-échantillon.
Dataset multi-régimesX0.66moyenneStructure PCA 1.00, PCA Q 1.00, Mahalanobis / T2 1.00Mélange de campagnes, opérateurs, lots, setups ou sous-populations spectrales.

Spectral sources

Raw NIR spectra

X · NIR
Raw NIR spectra spectra0.00.51.01.52.05001,0001,5002,0002,5003,000q05-q95 envelopeq25-q75 envelopemedian spectrummedianq25–q75q05–q95wavelength / nm999.9nm — median 0.4683 (q25–q75 0.4383–0.4991)1004.2nm — median 0.4639 (q25–q75 0.4339–0.4948)1008.5nm — median 0.4593 (q25–q75 0.4298–0.4903)1013.2nm — median 0.4539 (q25–q75 0.4249–0.4847)1017.6nm — median 0.4484 (q25–q75 0.4203–0.4798)1,022nm — median 0.4436 (q25–q75 0.4159–0.4744)1026.4nm — median 0.4383 (q25–q75 0.4104–0.4688)1030.9nm — median 0.4336 (q25–q75 0.4054–0.4635)1035.9nm — median 0.4286 (q25–q75 0.4006–0.4582)1040.4nm — median 0.4244 (q25–q75 0.3964–0.4534)1,045nm — median 0.4205 (q25–q75 0.3929–0.4495)1049.7nm — median 0.4172 (q25–q75 0.3891–0.4463)1054.4nm — median 0.4145 (q25–q75 0.387–0.4438)1059.6nm — median 0.4122 (q25–q75 0.3851–0.4418)1064.3nm — median 0.4106 (q25–q75 0.3842–0.4406)1069.2nm — median 0.4098 (q25–q75 0.3833–0.4397)1,074nm — median 0.4098 (q25–q75 0.3834–0.4396)1,079nm — median 0.4103 (q25–q75 0.3837–0.4405)1083.9nm — median 0.4115 (q25–q75 0.3848–0.4415)1089.4nm — median 0.4137 (q25–q75 0.3869–0.4436)1094.4nm — median 0.4166 (q25–q75 0.3895–0.4464)1099.5nm — median 0.4198 (q25–q75 0.392–0.4494)1104.7nm — median 0.4231 (q25–q75 0.3952–0.4529)1109.9nm — median 0.4265 (q25–q75 0.3986–0.4571)1115.6nm — median 0.4307 (q25–q75 0.4028–0.4617)1120.9nm — median 0.4362 (q25–q75 0.4077–0.4672)1126.3nm — median 0.4446 (q25–q75 0.4153–0.4758)1131.7nm — median 0.4597 (q25–q75 0.4289–0.4895)1137.2nm — median 0.4837 (q25–q75 0.4516–0.5095)1143.2nm — median 0.5166 (q25–q75 0.4841–0.5393)1148.8nm — median 0.5456 (q25–q75 0.5115–0.5666)1154.4nm — median 0.5653 (q25–q75 0.5276–0.5856)1160.1nm — median 0.576 (q25–q75 0.5371–0.5992)1165.8nm — median 0.5829 (q25–q75 0.5431–0.6058)1172.1nm — median 0.587 (q25–q75 0.5475–0.61)1,178nm — median 0.59 (q25–q75 0.551–0.6136)1183.9nm — median 0.5936 (q25–q75 0.5539–0.6179)1189.9nm — median 0.5977 (q25–q75 0.5571–0.6222)1195.9nm — median 0.6002 (q25–q75 0.5591–0.6248)1202.6nm — median 0.6007 (q25–q75 0.5597–0.6256)1208.7nm — median 0.5997 (q25–q75 0.5591–0.6245)1,215nm — median 0.597 (q25–q75 0.5571–0.6219)1221.3nm — median 0.593 (q25–q75 0.5539–0.6178)1227.6nm — median 0.589 (q25–q75 0.5498–0.6137)1234.6nm — median 0.5853 (q25–q75 0.5465–0.6101)1241.1nm — median 0.5817 (q25–q75 0.544–0.607)1247.7nm — median 0.5787 (q25–q75 0.5417–0.6035)1254.3nm — median 0.576 (q25–q75 0.5394–0.6003)1261.1nm — median 0.5742 (q25–q75 0.5378–0.598)1268.5nm — median 0.5738 (q25–q75 0.5373–0.5976)1275.3nm — median 0.5749 (q25–q75 0.538–0.599)1282.3nm — median 0.5786 (q25–q75 0.5389–0.6031)1289.3nm — median 0.5839 (q25–q75 0.5441–0.6095)1296.4nm — median 0.5921 (q25–q75 0.5525–0.6195)1303.5nm — median 0.604 (q25–q75 0.5617–0.6309)1311.4nm — median 0.6207 (q25–q75 0.5753–0.6474)1318.8nm — median 0.6396 (q25–q75 0.5936–0.668)1326.2nm — median 0.6631 (q25–q75 0.6149–0.6885)1333.7nm — median 0.6894 (q25–q75 0.6385–0.7183)1341.3nm — median 0.7133 (q25–q75 0.6611–0.7446)1349.7nm — median 0.739 (q25–q75 0.6823–0.7676)1357.5nm — median 0.7569 (q25–q75 0.6976–0.7875)1365.3nm — median 0.777 (q25–q75 0.715–0.8096)1373.3nm — median 0.8109 (q25–q75 0.7456–0.8445)1381.3nm — median 0.8719 (q25–q75 0.7991–0.9077)1390.2nm — median 0.9731 (q25–q75 0.8897–1.013)1398.5nm — median 1.074 (q25–q75 1.006–1.122)1406.8nm — median 1.152 (q25–q75 1.102–1.209)1415.2nm — median 1.208 (q25–q75 1.165–1.264)1423.8nm — median 1.244 (q25–q75 1.201–1.295)1433.2nm — median 1.264 (q25–q75 1.221–1.314)1,442nm — median 1.274 (q25–q75 1.23–1.323)1450.9nm — median 1.277 (q25–q75 1.233–1.326)1459.9nm — median 1.276 (q25–q75 1.232–1.325)1,469nm — median 1.267 (q25–q75 1.223–1.318)1,479nm — median 1.248 (q25–q75 1.205–1.299)1488.4nm — median 1.22 (q25–q75 1.181–1.277)1497.8nm — median 1.194 (q25–q75 1.149–1.252)1507.4nm — median 1.168 (q25–q75 1.12–1.225)1517.1nm — median 1.144 (q25–q75 1.088–1.2)1527.8nm — median 1.116 (q25–q75 1.054–1.17)1537.8nm — median 1.093 (q25–q75 1.026–1.144)1547.9nm — median 1.069 (q25–q75 1.001–1.118)1558.1nm — median 1.047 (q25–q75 0.9726–1.095)1568.5nm — median 1.026 (q25–q75 0.9487–1.074)1,580nm — median 1.003 (q25–q75 0.9274–1.052)1590.6nm — median 0.9854 (q25–q75 0.9107–1.033)1601.4nm — median 0.9704 (q25–q75 0.8962–1.015)1612.4nm — median 0.9561 (q25–q75 0.883–1)1623.5nm — median 0.9431 (q25–q75 0.871–0.9866)1634.8nm — median 0.9319 (q25–q75 0.8614–0.9746)1647.2nm — median 0.924 (q25–q75 0.855–0.9658)1658.8nm — median 0.9187 (q25–q75 0.851–0.9609)1670.6nm — median 0.9151 (q25–q75 0.8469–0.9564)1682.5nm — median 0.9153 (q25–q75 0.8474–0.9562)1694.6nm — median 0.9207 (q25–q75 0.854–0.9611)1,708nm — median 0.9331 (q25–q75 0.8697–0.9732)1720.5nm — median 0.9483 (q25–q75 0.8873–0.9883)1733.1nm — median 0.9657 (q25–q75 0.9024–1.004)1745.9nm — median 0.9745 (q25–q75 0.9075–1.015)1,759nm — median 0.9948 (q25–q75 0.9269–1.036)1773.4nm — median 1.01 (q25–q75 0.9405–1.054)1786.9nm — median 1.017 (q25–q75 0.9469–1.061)1800.5nm — median 1.016 (q25–q75 0.9462–1.061)1814.4nm — median 1.013 (q25–q75 0.9429–1.057)1828.4nm — median 1.013 (q25–q75 0.9433–1.057)1,844nm — median 1.028 (q25–q75 0.9575–1.073)1858.6nm — median 1.079 (q25–q75 1.009–1.124)1873.4nm — median 1.192 (q25–q75 1.147–1.248)1888.4nm — median 1.384 (q25–q75 1.334–1.434)1903.6nm — median 1.491 (q25–q75 1.439–1.542)1920.5nm — median 1.514 (q25–q75 1.466–1.573)1936.3nm — median 1.517 (q25–q75 1.47–1.576)1952.4nm — median 1.509 (q25–q75 1.458–1.565)1968.7nm — median 1.498 (q25–q75 1.445–1.548)1985.2nm — median 1.477 (q25–q75 1.426–1.529)2003.7nm — median 1.451 (q25–q75 1.4–1.505)2020.8nm — median 1.426 (q25–q75 1.376–1.479)2038.3nm — median 1.402 (q25–q75 1.353–1.455)2056.1nm — median 1.382 (q25–q75 1.331–1.431)2074.2nm — median 1.357 (q25–q75 1.31–1.409)2094.3nm — median 1.332 (q25–q75 1.285–1.382)2113.1nm — median 1.311 (q25–q75 1.263–1.359)2132.2nm — median 1.294 (q25–q75 1.247–1.342)2151.6nm — median 1.273 (q25–q75 1.23–1.322)2171.5nm — median 1.252 (q25–q75 1.208–1.305)2191.7nm — median 1.236 (q25–q75 1.194–1.289)2214.1nm — median 1.228 (q25–q75 1.186–1.281)2235.1nm — median 1.236 (q25–q75 1.194–1.29)2256.5nm — median 1.26 (q25–q75 1.216–1.31)2278.3nm — median 1.295 (q25–q75 1.25–1.343)2300.6nm — median 1.341 (q25–q75 1.295–1.383)2325.3nm — median 1.356 (q25–q75 1.31–1.4)2348.5nm — median 1.398 (q25–q75 1.343–1.447)2372.1nm — median 1.418 (q25–q75 1.364–1.467)2396.2nm — median 1.447 (q25–q75 1.389–1.493)2420.9nm — median 1.473 (q25–q75 1.411–1.517)2448.3nm — median 1.502 (q25–q75 1.436–1.543)2,474nm — median 1.522 (q25–q75 1.459–1.568)2500.2nm — median 1.532 (q25–q75 1.475–1.583)

Sampling

Wavelengths1,557
Axis range999.9–2500 nm
Mean spacing0.964 nm
Gridirregular
Observations186

Signal & quality

Value range0.307 – 2.47
Mean range0.411 – 1.54
Mean level0.9001
Area1611
PTP1.127
Noise RMS9.6857e-05
SNR9.3e+03
SNR dB8e+01 dB
Dynamic range1.13
Smoothness0.0004055
Saturated0.0%
X-outliers87

Integrity & artefacts

NaN ratio0.00%
Inf count0
Zero ratio0.00%
Spike count1,748
Spike rate0.60%
Jump count3,010
Jump rate1.04%
Clip fraction0.00%

Shape & reference

Baseline slope1.206
Curvature RMS0.00039759
D1 RMS0.0027878
RMS to mean0.055556
RMS p950.19918
SAM to mean0.029286
SAM p950.090495
Affine offset p950.20227
Affine gain p95 Δ0.18426
Affine residual p950.055372
Xcorr lag p950

Outliers & repeatability

PCA Q p95/median11
Hotelling T2 p95/median16
Mahalanobis H p95/median4
Repeat groups0

Dimensionality (PCA)

Effective rank1.6
PCs → 95% var2
PCs → 99% var3
Top-10 cum. var100.0%
Computed metric scores 29worst 1.00
FamilleMétrique calculéeValeurScoreNiveauInterprétation datasetCauses typiquesCalcul / scoring
Intégrité des donnéesNaN ratiointegrity.nan_ratio0%0.00faibleSpectre completErreur acquisition/exportcount(isnan(X)) / X.sizealert = min(1, nan_ratio / 0.05)
Intégrité des donnéesInf countintegrity.inf_count00.00faibleNormalCalculs invalidescount(isinf(X))alert = min(1, inf_count / 1)
Intégrité des donnéesZero ratiointegrity.zero_ratio0%0.00faibleNormalExport, saturationcount(X == 0) / count(finite X)alert = min(1, zero_ratio / 0.05)
Amplitude globaleMean reflectanceamplitude.mean_reflectance0.900071.00fortValeur 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_curve1610.91.00fortValeur 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_peak1.12750.00faibleVariabilité forteSaturationmax(mean_spectrum) - min(mean_spectrum)alert increases when dynamic range is abnormally flat
Amplitude globaleVarianceamplitude.variance0.150380.00faibleNormal ou hétérogèneMauvais contactvar(X finite)alert increases when variance/dynamic range is abnormally flat
BruitNoise RMSnoise.noise_rms9.6857e-050.00faibleStableLampe, détecteurmedian MAD(second derivative) * 1.4826 / sqrt(6)alert = noise_rms / signal_scale, saturated at 5%
BruitSNRnoise.snr9292.80.00faibleBon signalAcquisitionmean(abs(X)) / noise_rmsalert decreases with SNR dB; >=40 dB is treated as low alert
BruitBandwise SNRnoise.bandwise_snr_min1788.90.00faibleZone 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_count1,7480.60moyenArtefactsCosmic rays, splicecount robust outliers in second derivativealert follows spike_rate, saturated at 1%
Artefacts locauxSpike rateartefacts.spike_rate0.604%0.60moyenSpectre suspectInterpolationspike_count / (n_samples * (n_features - 2))alert = min(1, spike_rate / 0.01)
Artefacts locauxJump countartefacts.jump_count3,0101.00fortRaccord détecteurSplicecount robust outliers in first derivativealert follows jump_rate, saturated at 1%
Artefacts locauxJump rateartefacts.jump_rate1.04%1.00fortProblème spectralCalibrationjump_count / (n_samples * (n_features - 1))alert = min(1, jump_rate / 0.01)
Artefacts locauxClip fractionartefacts.clip_fraction0.00173%0.00faibleNormalDétecteur saturéfraction of finite cells equal to repeated min/max extremaalert = min(1, clip_fraction / 0.01)
Forme spectraleBaseline slopeshape.baseline_slope1.2061.00fortDériveÉclairementlinear slope of mean_spectrum over normalized axisalert = abs(slope / signal_scale), saturated at 0.5
Forme spectraleCurvature RMSshape.curvature_rms0.000397590.04faibleLisseFond, splicemedian RMS(second derivative per spectrum)alert = curvature_rms / signal_scale, saturated at 1%
Forme spectraleD1 RMSshape.d1_rms0.00278780.05faiblePlatBiologie ou artefactmedian RMS(first derivative per spectrum)alert = d1_rms / signal_scale, saturated at 5%
Outliers multivariésPCA Q (SPE)outliers.pca_q_ratio11.0941.00fortSpectre atypiqueArtefact, mélangep95(Q/SPE residual) / median(Q/SPE residual)alert = min(1, pca_q_ratio / 8)
Outliers multivariésHotelling T²outliers.hotelling_t2_ratio16.2031.00fortExtrême mais cohérentVariabilité naturellep95(Hotelling T2) / median(Hotelling T2)alert = min(1, hotelling_t2_ratio / 8)
Outliers multivariésMahalanobis Houtliers.mahalanobis_h_ratio4.02651.00fortOutlier globalDomaine différentp95(sqrt(T2)) / median(sqrt(T2))alert = min(1, mahalanobis_h_ratio / 4)
Comparaison à référenceRMS to mean spectrumreference.rms_to_mean_spectrum_p950.199180.71moyenSpectre 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_p950.0904950.26faibleSimilaireFond, 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_density2.49721.00fortSous-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_p959.70431.00fortSpectre 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_p950.637131.00fortSpectre atypiqueDiverses causesp95 IsolationForest anomaly score on PCA scoresalert follows structure complexity; raw score is implementation-dependent
X PCA score plot-30-20-10010-10-50510PC1 -0.5987 · PC2 -1.071PC1 4.921 · PC2 -1.291PC1 1.566 · PC2 -1.685PC1 4.981 · PC2 -1.062PC1 4.584 · PC2 -0.8724PC1 4.584 · PC2 -0.8724PC1 4.584 · PC2 -0.8724PC1 2.653 · PC2 -1.163PC1 2.653 · PC2 -1.163PC1 4.639 · PC2 -1.2PC1 8.321 · PC2 -4.166PC1 8.321 · PC2 -4.166PC1 2.995 · PC2 -1.05PC1 4.854 · PC2 -1.12PC1 2.84 · PC2 -1.364PC1 1.863 · PC2 -0.8986PC1 4.228 · PC2 -1.086PC1 3.952 · PC2 -1.731PC1 2.282 · PC2 3.027PC1 2.282 · PC2 3.027PC1 2.142 · PC2 3.106PC1 2.142 · PC2 3.106PC1 3.239 · PC2 1.601PC1 2.12 · PC2 2.933PC1 2.12 · PC2 2.933PC1 1.97 · PC2 3.09PC1 1.97 · PC2 3.09PC1 1.97 · PC2 3.09PC1 1.97 · PC2 3.09PC1 2.408 · PC2 2.1PC1 2.408 · PC2 2.1PC1 2.408 · PC2 2.1PC1 2.408 · PC2 2.1PC1 -1.974 · PC2 0.3205PC1 1.452 · PC2 3.089PC1 1.452 · PC2 3.089PC1 2.093 · PC2 2.85PC1 1.153 · PC2 2.597PC1 2.345 · PC2 2.314PC1 2.345 · PC2 2.314PC1 2.345 · PC2 2.314PC1 2.915 · PC2 2.02PC1 3.022 · PC2 1.586PC1 1.74 · PC2 2.499PC1 1.423 · PC2 2.596PC1 1.59 · PC2 2.904PC1 2.901 · PC2 1.283PC1 -0.6517 · PC2 1.437PC1 0.5593 · PC2 -0.2206PC1 0.916 · PC2 0.6448PC1 0.2482 · PC2 1.659PC1 -0.8506 · PC2 1.451PC1 -2.27 · PC2 1.559PC1 -1.248 · PC2 0.6746PC1 -0.6333 · PC2 1.243PC1 -3.277 · PC2 0.5989PC1 -1.824 · PC2 1.014PC1 -0.8365 · PC2 0.491PC1 -1.191 · PC2 0.3208PC1 -2.407 · PC2 -0.601PC1 -0.9554 · PC2 0.07452PC1 -2.779 · PC2 0.8901PC1 -0.9157 · PC2 -0.1402PC1 -3.588 · PC2 0.7006PC1 -4.739 · PC2 -0.9486PC1 -1.209 · PC2 0.7348PC1 0.3612 · PC2 -0.7515PC1 1.098 · PC2 0.2664PC1 -0.9167 · PC2 0.4893PC1 0.5518 · PC2 -0.5795PC1 -0.8697 · PC2 0.1098PC1 -1.099 · PC2 -0.1594PC1 -0.2877 · PC2 0.2842PC1 0.6193 · PC2 0.3454PC1 -2.218 · PC2 0.5607PC1 -0.7393 · PC2 0.3234PC1 -0.9736 · PC2 0.2817PC1 0.8901 · PC2 0.6309PC1 -1.027 · PC2 0.09781PC1 0.4746 · PC2 0.3476PC1 0.946 · PC2 0.725PC1 0.3617 · PC2 -0.1895PC1 -0.367 · PC2 0.6649PC1 -2.374 · PC2 -0.0942PC1 0.1676 · PC2 0.5678PC1 -2.466 · PC2 -0.03035PC1 -1.327 · PC2 0.1271PC1 -4.118 · PC2 -1.114PC1 1.419 · PC2 0.2233PC1 -1.593 · PC2 -1.615PC1 0.6354 · PC2 -0.8547PC1 3.325 · PC2 -0.1743PC1 1.179 · PC2 -0.1873PC1 0.8687 · PC2 -0.6906PC1 1.568 · PC2 -1.078PC1 4.699 · PC2 -0.3506PC1 -0.1577 · PC2 -1.26PC1 2.537 · PC2 -1.394PC1 -11.36 · PC2 -6.157PC1 -6.433 · PC2 -4.503PC1 1.542 · PC2 -0.4865PC1 3.321 · PC2 -0.3303PC1 -0.1798 · PC2 -0.5624PC1 -0.1482 · PC2 -1.17PC1 1.058 · PC2 -1.274PC1 0.9223 · PC2 -0.5612PC1 -0.471 · PC2 -1.324PC1 -2.472 · PC2 -1.932PC1 0.2995 · PC2 -1.158PC1 -1.838 · PC2 -2.683PC1 1.422 · PC2 -1.222PC1 2.554 · PC2 -0.3493PC1 -1.09 · PC2 -1.581PC1 1.816 · PC2 -0.5006PC1 -0.9554 · PC2 0.07452PC1 -2.779 · PC2 0.8901PC1 -0.9157 · PC2 -0.1402PC1 -3.588 · PC2 0.7006PC1 -4.739 · PC2 -0.9486PC1 -1.209 · PC2 0.7348PC1 0.3612 · PC2 -0.7515PC1 1.098 · PC2 0.2664PC1 -0.9167 · PC2 0.4893PC1 0.5518 · PC2 -0.5795PC1 -0.8697 · PC2 0.1098PC1 -1.099 · PC2 -0.1594PC1 -0.2877 · PC2 0.2842PC1 0.6193 · PC2 0.3454PC1 -2.218 · PC2 0.5607PC1 -0.7393 · PC2 0.3234PC1 -0.9736 · PC2 0.2817PC1 0.8901 · PC2 0.6309PC1 -1.027 · PC2 0.09781PC1 0.4746 · PC2 0.3476PC1 0.946 · PC2 0.725PC1 0.3617 · PC2 -0.1895PC1 -0.367 · PC2 0.6649PC1 -2.374 · PC2 -0.0942PC1 0.1676 · PC2 0.5678PC1 -2.466 · PC2 -0.03035PC1 -1.327 · PC2 0.1271PC1 3.634 · PC2 -0.2775PC1 2.141 · PC2 0.4626PC1 3.731 · PC2 0.1934PC1 1.622 · PC2 -0.2899PC1 -0.6107 · PC2 -2.625PC1 0.5384 · PC2 -0.6418PC1 -0.1806 · PC2 -2.014PC1 0.7314 · PC2 -1.421PC1 1.734 · PC2 -0.3155PC1 2.572 · PC2 0.6644PC1 3.226 · PC2 0.1204PC1 1.874 · PC2 -0.02244PC1 -0.1727 · PC2 0.3526PC1 -1.066 · PC2 -0.3157PC1 2.562 · PC2 0.1429PC1 2.001 · PC2 0.576PC1 2.472 · PC2 -0.1177PC1 3.604 · PC2 -1.017PC1 1.179 · PC2 -0.1873PC1 0.8687 · PC2 -0.6906PC1 1.568 · PC2 -1.078PC1 4.699 · PC2 -0.3506PC1 -0.1577 · PC2 -1.26PC1 2.537 · PC2 -1.394PC1 -11.36 · PC2 -6.157PC1 -6.433 · PC2 -4.503PC1 1.542 · PC2 -0.4865PC1 3.321 · PC2 -0.3303PC1 -0.1798 · PC2 -0.5624PC1 -0.1482 · PC2 -1.17PC1 1.058 · PC2 -1.274PC1 0.9223 · PC2 -0.5612PC1 -0.471 · PC2 -1.324PC1 -2.472 · PC2 -1.932PC1 -25.21 · PC2 5.533PC1 -23.29 · PC2 6.861PC1 -13.33 · PC2 -0.749PC1 -15.15 · PC2 -1.722PC1 -17.05 · PC2 -3.267PC1 1.058 · PC2 -1.274PC1 0.9223 · PC2 -0.5612PC1 -0.471 · PC2 -1.324PC1 -2.472 · PC2 -1.932PC1 0.2995 · PC2 -1.158PC1 -1.838 · PC2 -2.683PC1 (83.8%)PC2 (14.9%)186 scores
PCA explained variance0%25%50%75%100%PC1: 83.8% (cumulative 83.8%)1PC2: 14.9% (cumulative 98.8%)2PC3: 0.8% (cumulative 99.6%)3PC4: 0.2% (cumulative 99.8%)4PC5: 0.1% (cumulative 99.9%)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 3
X · Vit_C_mg_100g spectral correlation-1-0.500.51absolute correlation envelopesigned correlationabsolute correlation5001,0001,5002,0002,5003,000|r|signed raxis · Pearson correlation scale
X · TA_mg_100g spectral correlation-1-0.500.51absolute correlation envelopesigned correlationabsolute correlation5001,0001,5002,0002,5003,000|r|signed raxis · Pearson correlation scale
X · SSC_oBrix spectral correlation-1-0.500.51absolute correlation envelopesigned correlationabsolute correlation5001,0001,5002,0002,5003,000|r|signed raxis · Pearson correlation scale
Targetmax |r|axis @ maxmean |r||r| ≥ .5
Vit_C_mg_100g0.1461.5e+030.08290.0%
TA_mg_100g0.1471.06e+030.08920.0%
SSC_oBrix0.1421,8680.1060.0%

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 4

Mango_Cultivar

target · categorical
Mango_Cultivar classesKentKent: 8585PalmerPalmer: 5454KweniKweni: 2929CengkirCengkir: 1818
n / missing186 / 0
Classes4
Balance (entropy)0.89
Imbalance ratio5
Top classKent (85)

Vit_C_mg_100g

target · numeric
Vit_C_mg_100g distribution0102018.33 – 20.81: 620.81 – 23.29: 923.29 – 25.77: 525.77 – 28.25: 528.25 – 30.73: 1230.73 – 33.21: 1033.21 – 35.69: 1235.69 – 38.17: 1638.17 – 40.65: 1540.65 – 43.13: 1843.13 – 45.62: 1145.62 – 48.1: 848.1 – 50.58: 750.58 – 53.06: 853.06 – 55.54: 755.54 – 58.02: 1058.02 – 60.5: 560.5 – 62.98: 562.98 – 65.46: 365.46 – 67.94: 367.94 – 70.42: 470.42 – 72.9: 472.9 – 75.38: 275.38 – 77.86: 1102050100
n / missing186 / 0
Mean ± SD42.78 ± 13.7
Median40.99
Range18.33 – 77.86
CV0.32
Skew / kurtosis0.41 / -0.44
Normal?no

TA_mg_100g

target · numeric
TA_mg_100g distribution01020111.7 – 148.4: 3148.4 – 185.2: 5185.2 – 221.9: 6221.9 – 258.7: 4258.7 – 295.5: 1295.5 – 332.2: 14332.2 – 369: 14369 – 405.7: 12405.7 – 442.5: 18442.5 – 479.2: 10479.2 – 516: 19516 – 552.8: 13552.8 – 589.5: 8589.5 – 626.3: 16626.3 – 663: 15663 – 699.8: 14699.8 – 736.5: 6736.5 – 773.3: 4773.3 – 810: 0810 – 846.8: 1846.8 – 883.6: 1883.6 – 920.3: 0920.3 – 957.1: 1957.1 – 993.8: 102505007501,000
n / missing186 / 0
Mean ± SD489.5 ± 167
Median491.7
Range111.7 – 993.8
CV0.342
Skew / kurtosis-0.0051 / -0.18
Normal?yes

SSC_oBrix

target · numeric
SSC_oBrix distribution010207.91 – 8.643: 28.643 – 9.376: 79.376 – 10.11: 510.11 – 10.84: 1110.84 – 11.58: 711.58 – 12.31: 712.31 – 13.04: 613.04 – 13.78: 1213.78 – 14.51: 1714.51 – 15.24: 1315.24 – 15.98: 1415.98 – 16.71: 1316.71 – 17.44: 817.44 – 18.17: 818.17 – 18.91: 1218.91 – 19.64: 1419.64 – 20.37: 620.37 – 21.11: 321.11 – 21.84: 621.84 – 22.57: 822.57 – 23.31: 323.31 – 24.04: 124.04 – 24.77: 124.77 – 25.51: 2125102050100
n / missing186 / 0
Mean ± SD15.76 ± 3.91
Median15.42
Range7.91 – 25.51
CV0.248
Skew / kurtosis0.15 / -0.58
Normal?yes
Constant metadata 16
  • api_urlhttps://data.mendeley.com/public-api/datasets/b9d6s7hr33/snapshot/1
  • files_api_urlhttps://data.mendeley.com/public-api/datasets/b9d6s7hr33/files?folder_id=root&version=1&$start=0&$limit=1000
  • article_urlhttps://www.sciencedirect.com/science/article/pii/S2352340919311448
  • doi_dataset10.17632/b9d6s7hr33.1
  • licenseCreative Commons Attribution 4.0 International
  • license_idcc-by-4.0
  • license_urlhttps://creativecommons.org/licenses/by/4.0/
  • rights_statusexplicit_open
  • usage_scopepublic_reuse_possible
  • public_release_allowedTrue
  • spectroscopy_typeNIR
  • axis_unitnm
  • axis_min999.9
  • axis_max2500
  • n_points_original1,557
  • notesRaw NIR spectra of intact mango fruits, source label duplicates Mango Cultivars and is kept as metadata.

Alignment

Alignment levelsample
Sample id availableyes
Samples186
Observations (total)186
Reps per samplemin 1 · mean 1 · max 1

Provenance & citation

ContributorDataset of NIR spectrum for intact mango fruits
Origin · url [open]https://data.mendeley.com/datasets/b9d6s7hr33/1
Origin · url [open]https://data.mendeley.com/public-api/datasets/b9d6s7hr33/snapshot/1
Origin · url [open]https://data.mendeley.com/public-api/datasets/b9d6s7hr33/files?folder_id=root&version=1&$start=0&$limit=1000
Origin · url [open]https://creativecommons.org/licenses/by/4.0/
Origin · script [manual]source_to_standard.py — standardization script (maintainer-only)

Governance & integrity

Tierpublic
LicenseCC-BY-4.0
Permitted useResearch and benchmarking.
Access policyOpen per source license.
RedistributionMendeley Data record is licensed CC BY 4.0; redistribution/publication reuse allowed with attribution.
Content version1.0.0
Schema / protocol2.0
Content hashff19067d4226e497…
Processing hasha2e39ce85e2dba2b…
Metadata hash7a7d0d4a9f8e7bbb…

Load this dataset

# pip install nirs4all-datasets
from nirs4all_datasets import get

ds = get("mendeley_intact_mango_raw_nir")            # DOI-pinned, checksum-verified, cached
X, y = ds.x(), ds.y()
print(X.shape, y.shape)
card.jsoncroissant.jsonIdentity metadata only — the dataset bytes live at the origin / DOI.