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Nirpy Research honey adulteration NIR aquagram

nirpy · NIR

Nirpy Research honey adulteration NIR aquagram. v2.0 standardized NIRS package: 1 spectral source(s), 3 declared target(s). Auto-generated from dataset_card.json (verify before publication).

nirv2nirpy
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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.
165
samples
450
wavelengths
1
sources
3
targets
22
metadata
NIR
family

Dataset property explorer

Mean profile risk0.62
Highest axisArtefacts locaux · 1.00
Diagnostics8
Sources profiled1
Nirpy Research honey adulteration NIR aquagram property profile0.250.50.751integritynoiseartefactsbaselinePCA outliersreferencerepeatabilitystructureNirpy Research honey adulteration NIR aquagram profileintegrity: 0.00noise: 0.02artefacts: 1.00baseline: 0.92PCA outliers: 1.00reference: 1.00repeatability: 0.00structure: 1.00Nirpy Research …0 center · 1 outer ring · outward = stronger anomaly / heterogeneity signal

Profile axes

Intégrité0.00
Artefacts locaux1.00
Bruit0.02
Outliers PCA1.00
Distance à la référence1.00
Répétabilité0.00
Baseline / forme0.92
Structure multi-régimes1.00
Diagnostic hypotheses00.250.50.751hypothesis scoreSplice / raccord détecteursSplice / raccord détecteurs: 0.870.87Erreur calibration / référenc…Erreur calibration / référence blanche: 0.790.79Fond différentFond différent: 0.750.75Spectre hors domaine valideSpectre hors domaine valide: 0.740.74Signature VERA25-likeSignature VERA25-like: 0.720.72Erreur interpolation / réécha…Erreur interpolation / rééchantillonnage: 0.680.68Dataset multi-régimesDataset multi-régimes: 0.670.67Différence de sonde / géométr…Différence de sonde / géométrie: 0.660.66
DiagnosticScoreForceSignauxInterprétation probable
Splice / raccord détecteursX0.87forteSpike rate 1.00, Jump rate 1.00, RMS/SAM référence 1.00Rupture aux jonctions de détecteurs, calibration locale ou sonde différente.
Erreur calibration / référence blancheX0.79forteMahalanobis / T2 1.00, RMS/SAM référence 1.00, artefacts locaux 1.00Décalage systématique entre campagnes, instruments ou référence blanche.
Fond différentX0.75forteMahalanobis / T2 1.00, RMS/SAM référence 1.00, Baseline/mean/area 0.92Effet systématique du support, blanc/noir, transflectance ou environnement de mesure.
Spectre hors domaine valideX0.74forteMahalanobis / T2 1.00, RMS/SAM référence 1.00, Structure PCA 1.00Variété, espèce, lot ou condition différente mais physiquement plausible.
Signature VERA25-likeX0.72moyenneMahalanobis / T2 1.00, Spike rate 1.00, Jump rate 1.00Combinaison possible changement de sonde + splice, amplifiée par géométrie, fond ou calibration.
Erreur interpolation / rééchantillonnageX0.68moyenneSpike rate 1.00, Jump rate 1.00, SNR normal/élevé 1.00Artefacts numériques ou traitement spectral incorrect.
Dataset multi-régimesX0.67moyenneStructure PCA 1.00, RMS/SAM référence 1.00, Mahalanobis / T2 1.00Mélange de campagnes, opérateurs, lots, setups ou sous-populations spectrales.
Différence de sonde / géométrieX0.66moyenneMahalanobis / T2 1.00, RMS/SAM référence 1.00, Baseline/mean/area 0.92Modification de l'illumination, collecte, angle ou distance sonde-échantillon.

Spectral sources

Nirpy Research honey adulteration NIR aquagram

X · NIR
Nirpy Research honey adulteration NIR aquagram spectra-0.50.00.51.01.52.005,00010,00015,000q05-q95 envelopeq25-q75 envelopemedian spectrummedianq25–q75q05–q95wavelength / cm-114731cm-1 — median -0.0137 (q25–q75 -0.0408–0.0231)13791cm-1 — median -0.039 (q25–q75 -0.0677–0.0059)12963cm-1 — median -0.0421 (q25–q75 -0.0714–0.00107)12003cm-1 — median -0.0391 (q25–q75 -0.0688–0.000764)11371cm-1 — median -0.0343 (q25–q75 -0.0634–0.0107)10803cm-1 — median -0.0281 (q25–q75 -0.0618–0.0216)10288cm-1 — median -0.0359 (q25–q75 -0.0685–0.0195)9674cm-1 — median -0.0315 (q25–q75 -0.0637–0.0282)9259.4cm-1 — median -0.0319 (q25–q75 -0.0624–0.0282)8878.9cm-1 — median -0.0332 (q25–q75 -0.0641–0.021)8528.4cm-1 — median -0.0267 (q25–q75 -0.0616–0.0268)8101.9cm-1 — median 0.00724 (q25–q75 -0.0335–0.0554)7809.1cm-1 — median 0.0946 (q25–q75 0.0614–0.171)7536.7cm-1 — median 0.0898 (q25–q75 0.044–0.13)7282.6cm-1 — median 0.129 (q25–q75 0.0689–0.177)7045.2cm-1 — median 0.172 (q25–q75 0.107–0.235)6751.6cm-1 — median 0.225 (q25–q75 0.161–0.296)6547cm-1 — median 0.254 (q25–q75 0.174–0.319)6354.5cm-1 — median 0.172 (q25–q75 0.113–0.233)6172.9cm-1 — median 0.151 (q25–q75 0.089–0.2)5946.4cm-1 — median 0.201 (q25–q75 0.128–0.255)5787.1cm-1 — median 0.17 (q25–q75 0.106–0.219)5636.1cm-1 — median 0.151 (q25–q75 0.0934–0.2)5492.9cm-1 — median 0.196 (q25–q75 0.132–0.253)5312.8cm-1 — median 0.337 (q25–q75 0.241–0.4)5185.2cm-1 — median 0.459 (q25–q75 0.352–0.522)5063.7cm-1 — median 0.608 (q25–q75 0.488–0.687)4947.8cm-1 — median 0.73 (q25–q75 0.607–0.818)4837cm-1 — median 0.785 (q25–q75 0.658–0.875)4696.8cm-1 — median 0.867 (q25–q75 0.736–0.956)4596.9cm-1 — median 0.952 (q25–q75 0.822–1.04)4501.1cm-1 — median 1.01 (q25–q75 0.898–1.11)4409.2cm-1 — median 1.07 (q25–q75 0.953–1.17)4292.4cm-1 — median 1.1 (q25–q75 0.985–1.21)4208.8cm-1 — median 1.11 (q25–q75 0.99–1.21)4128.4cm-1 — median 1.12 (q25–q75 0.999–1.22)4051cm-1 — median 1.13 (q25–q75 1–1.22)3952.2cm-1 — median 1.13 (q25–q75 1–1.22)3881.2cm-1 — median 1.12 (q25–q75 0.995–1.22)3812.7cm-1 — median 1.12 (q25–q75 0.987–1.21)3746.6cm-1 — median 1.1 (q25–q75 0.982–1.21)3682.7cm-1 — median 1.09 (q25–q75 0.977–1.2)3600.9cm-1 — median 1.08 (q25–q75 0.967–1.19)3541.8cm-1 — median 1.06 (q25–q75 0.963–1.18)3484.7cm-1 — median 1.05 (q25–q75 0.957–1.18)3429.4cm-1 — median 1.04 (q25–q75 0.948–1.17)3358.3cm-1 — median 1.04 (q25–q75 0.942–1.17)3306.9cm-1 — median 1.04 (q25–q75 0.937–1.17)3257.1cm-1 — median 1.04 (q25–q75 0.933–1.16)3208.7cm-1 — median 1.03 (q25–q75 0.913–1.16)3146.4cm-1 — median 1.02 (q25–q75 0.894–1.15)3101.2cm-1 — median 1.01 (q25–q75 0.883–1.14)3057.3cm-1 — median 1.01 (q25–q75 0.874–1.13)3014.7cm-1 — median 1 (q25–q75 0.868–1.13)2973.2cm-1 — median 0.994 (q25–q75 0.864–1.12)2919.6cm-1 — median 0.991 (q25–q75 0.868–1.12)2880.7cm-1 — median 0.996 (q25–q75 0.871–1.13)2842.8cm-1 — median 1.01 (q25–q75 0.881–1.14)2805.9cm-1 — median 1.03 (q25–q75 0.919–1.16)2758.1cm-1 — median 1.08 (q25–q75 0.953–1.19)2723.3cm-1 — median 1.13 (q25–q75 0.999–1.23)2689.4cm-1 — median 1.17 (q25–q75 1.02–1.25)2656.4cm-1 — median 1.15 (q25–q75 1.01–1.23)2613.5cm-1 — median 1.12 (q25–q75 0.996–1.2)2582.3cm-1 — median 1.11 (q25–q75 0.993–1.2)2551.8cm-1 — median 1.13 (q25–q75 1.01–1.21)2522cm-1 — median 1.15 (q25–q75 1.02–1.23)2492.9cm-1 — median 1.16 (q25–q75 1.02–1.24)2455.1cm-1 — median 1.11 (q25–q75 0.99–1.19)2427.6cm-1 — median 1.01 (q25–q75 0.909–1.12)2400.6cm-1 — median 0.898 (q25–q75 0.789–0.997)2374.2cm-1 — median 0.839 (q25–q75 0.724–0.935)2339.9cm-1 — median 0.83 (q25–q75 0.715–0.926)2314.8cm-1 — median 0.798 (q25–q75 0.681–0.892)2290.3cm-1 — median 0.774 (q25–q75 0.658–0.867)2266.3cm-1 — median 0.766 (q25–q75 0.656–0.863)2242.8cm-1 — median 0.619 (q25–q75 0.516–0.704)2212.1cm-1 — median 0.637 (q25–q75 0.529–0.723)2189.7cm-1 — median 0.724 (q25–q75 0.613–0.819)2167.8cm-1 — median 0.813 (q25–q75 0.705–0.923)2146.2cm-1 — median 0.899 (q25–q75 0.794–1.01)2118.2cm-1 — median 0.967 (q25–q75 0.872–1.09)2097.6cm-1 — median 0.981 (q25–q75 0.881–1.11)2077.4cm-1 — median 0.948 (q25–q75 0.853–1.07)2057.6cm-1 — median 0.87 (q25–q75 0.766–0.975)2031.8cm-1 — median 0.708 (q25–q75 0.59–0.791)2012.9cm-1 — median 0.634 (q25–q75 0.52–0.748)1994.3cm-1 — median 0.673 (q25–q75 0.549–0.785)1976.1cm-1 — median 0.781 (q25–q75 0.66–0.888)1958.2cm-1 — median 0.903 (q25–q75 0.778–1)1934.8cm-1 — median 0.969 (q25–q75 0.844–1.09)1917.6cm-1 — median 0.834 (q25–q75 0.709–0.94)1900.8cm-1 — median 0.498 (q25–q75 0.389–0.607)1884.2cm-1 — median 0.255 (q25–q75 0.144–0.336)1862.5cm-1 — median 0.169 (q25–q75 0.0639–0.251)1846.6cm-1 — median 0.168 (q25–q75 0.0616–0.249)1831cm-1 — median 0.179 (q25–q75 0.0757–0.262)1815.6cm-1 — median 0.191 (q25–q75 0.0881–0.276)1795.5cm-1 — median 0.218 (q25–q75 0.0998–0.296)1780.7cm-1 — median 0.228 (q25–q75 0.11–0.304)1766.1cm-1 — median 0.232 (q25–q75 0.113–0.308)1751.8cm-1 — median 0.23 (q25–q75 0.11–0.306)1737.7cm-1 — median 0.226 (q25–q75 0.109–0.303)1719.2cm-1 — median 0.218 (q25–q75 0.101–0.294)1705.7cm-1 — median 0.207 (q25–q75 0.0967–0.288)1692.3cm-1 — median 0.208 (q25–q75 0.098–0.291)1679.2cm-1 — median 0.194 (q25–q75 0.0891–0.28)1661.9cm-1 — median 0.197 (q25–q75 0.0934–0.284)1649.2cm-1 — median 0.22 (q25–q75 0.104–0.299)1636.8cm-1 — median 0.24 (q25–q75 0.119–0.317)1624.5cm-1 — median 0.262 (q25–q75 0.143–0.34)1608.3cm-1 — median 0.292 (q25–q75 0.18–0.373)1596.4cm-1 — median 0.312 (q25–q75 0.206–0.397)1584.7cm-1 — median 0.332 (q25–q75 0.221–0.417)1573.2cm-1 — median 0.347 (q25–q75 0.232–0.435)1561.8cm-1 — median 0.354 (q25–q75 0.24–0.446)1546.9cm-1 — median 0.358 (q25–q75 0.243–0.45)1535.9cm-1 — median 0.365 (q25–q75 0.249–0.457)1525.1cm-1 — median 0.378 (q25–q75 0.26–0.476)1514.4cm-1 — median 0.398 (q25–q75 0.278–0.505)1500.4cm-1 — median 0.433 (q25–q75 0.306–0.534)1490cm-1 — median 0.46 (q25–q75 0.332–0.556)1479.8cm-1 — median 0.483 (q25–q75 0.356–0.576)1469.7cm-1 — median 0.495 (q25–q75 0.369–0.589)1456.5cm-1 — median 0.485 (q25–q75 0.358–0.592)1446.8cm-1 — median 0.458 (q25–q75 0.33–0.576)1437.2cm-1 — median 0.402 (q25–q75 0.286–0.503)1427.7cm-1 — median 0.328 (q25–q75 0.211–0.415)1418.3cm-1 — median 0.229 (q25–q75 0.122–0.328)1406cm-1 — median 0.134 (q25–q75 0.0195–0.224)1396.9cm-1 — median 0.0962 (q25–q75 -0.0273–0.181)1387.9cm-1 — median 0.0713 (q25–q75 -0.0471–0.156)1379.1cm-1 — median 0.0619 (q25–q75 -0.0576–0.147)1367.4cm-1 — median 0.0576 (q25–q75 -0.0668–0.143)1358.8cm-1 — median 0.0501 (q25–q75 -0.078–0.138)1350.3cm-1 — median 0.0412 (q25–q75 -0.0861–0.131)1341.9cm-1 — median 0.0326 (q25–q75 -0.0973–0.124)1330.9cm-1 — median 0.0318 (q25–q75 -0.0997–0.12)1322.8cm-1 — median 0.0424 (q25–q75 -0.0886–0.133)1314.7cm-1 — median 0.0497 (q25–q75 -0.085–0.14)

Sampling

Wavelengths450
Axis range1315–1.473e+04 cm-1
Mean spacing29.9 cm-1
Gridirregular
Observations165

Signal & quality

Value range-0.267 – 1.9
Mean range0.0317 – 1.18
Mean level0.585
Area4365
PTP1.15
Noise RMS0.0012105
SNR4.9e+02
SNR dB5e+01 dB
Dynamic range1.15
Smoothness0.007852
Saturated0.0%
X-outliers77

Integrity & artefacts

NaN ratio0.00%
Inf count0
Zero ratio0.00%
Spike count1,646
Spike rate2.23%
Jump count946
Jump rate1.28%
Clip fraction0.01%

Shape & reference

Baseline slope-0.52753
Curvature RMS0.0073736
D1 RMS0.020862
RMS to mean0.1199
RMS p950.41731
SAM to mean0.10958
SAM p950.38693
Affine offset p950.21404
Affine gain p95 Δ0.34177
Affine residual p950.22171
Xcorr lag p950

Outliers & repeatability

PCA Q p95/median5.4
Hotelling T2 p95/median19
Mahalanobis H p95/median4.3
Repeat groups0

Dimensionality (PCA)

Effective rank2.5
PCs → 95% var4
PCs → 99% var6
Top-10 cum. var99.9%
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_reflectance0.585050.92fortValeur 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_curve4364.50.92fortValeur 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_peak1.14990.00faibleVariabilité forteSaturationmax(mean_spectrum) - min(mean_spectrum)alert increases when dynamic range is abnormally flat
Amplitude globaleVarianceamplitude.variance0.217320.00faibleNormal ou hétérogèneMauvais contactvar(X finite)alert increases when variance/dynamic range is abnormally flat
BruitNoise RMSnoise.noise_rms0.00121050.02faibleStableLampe, détecteurmedian MAD(second derivative) * 1.4826 / sqrt(6)alert = noise_rms / signal_scale, saturated at 5%
BruitSNRnoise.snr493.750.00faibleBon signalAcquisitionmean(abs(X)) / noise_rmsalert decreases with SNR dB; >=40 dB is treated as low alert
BruitBandwise SNRnoise.bandwise_snr_min17.3160.29faibleZone 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_count1,6461.00fortArtefactsCosmic rays, splicecount robust outliers in second derivativealert follows spike_rate, saturated at 1%
Artefacts locauxSpike rateartefacts.spike_rate2.23%1.00fortSpectre suspectInterpolationspike_count / (n_samples * (n_features - 2))alert = min(1, spike_rate / 0.01)
Artefacts locauxJump countartefacts.jump_count9461.00fortRaccord détecteurSplicecount robust outliers in first derivativealert follows jump_rate, saturated at 1%
Artefacts locauxJump rateartefacts.jump_rate1.28%1.00fortProblème spectralCalibrationjump_count / (n_samples * (n_features - 1))alert = min(1, jump_rate / 0.01)
Artefacts locauxClip fractionartefacts.clip_fraction0.0121%0.01faibleNormalDétecteur saturéfraction of finite cells equal to repeated min/max extremaalert = min(1, clip_fraction / 0.01)
Forme spectraleBaseline slopeshape.baseline_slope-0.527530.92fortDériveÉclairementlinear slope of mean_spectrum over normalized axisalert = abs(slope / signal_scale), saturated at 0.5
Forme spectraleCurvature RMSshape.curvature_rms0.00737360.64moyenForme inhabituelleFond, splicemedian RMS(second derivative per spectrum)alert = curvature_rms / signal_scale, saturated at 1%
Forme spectraleD1 RMSshape.d1_rms0.0208620.36faiblePlatBiologie ou artefactmedian RMS(first derivative per spectrum)alert = d1_rms / signal_scale, saturated at 5%
Outliers multivariésPCA Q (SPE)outliers.pca_q_ratio5.39120.67moyenSpectre atypiqueArtefact, mélangep95(Q/SPE residual) / median(Q/SPE residual)alert = min(1, pca_q_ratio / 8)
Outliers multivariésHotelling T²outliers.hotelling_t2_ratio18.931.00fortExtrême mais cohérentVariabilité naturellep95(Hotelling T2) / median(Hotelling T2)alert = min(1, hotelling_t2_ratio / 8)
Outliers multivariésMahalanobis Houtliers.mahalanobis_h_ratio4.3481.00fortOutlier globalDomaine différentp95(sqrt(T2)) / median(sqrt(T2))alert = min(1, mahalanobis_h_ratio / 4)
Comparaison à référenceRMS to mean spectrumreference.rms_to_mean_spectrum_p950.417311.00fortSpectre 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_p950.386931.00fortForme 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_density1.87921.00fortSous-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_p957.95011.00fortSpectre 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_p950.632411.00fortSpectre atypiqueDiverses causesp95 IsolationForest anomaly score on PCA scoresalert follows structure complexity; raw score is implementation-dependent
X PCA score plot-1001020-10-505PC1 -0.5723 · PC2 -0.02442PC1 -0.7982 · PC2 -0.189PC1 -0.78 · PC2 -0.1716PC1 0.837 · PC2 0.01077PC1 0.756 · PC2 -0.0005262PC1 0.7953 · PC2 0.08179PC1 -3.115 · PC2 -0.2717PC1 -3.132 · PC2 -0.2796PC1 -3.162 · PC2 -0.3002PC1 -1.879 · PC2 0.46PC1 -1.911 · PC2 0.4433PC1 5.201 · PC2 -0.9602PC1 -0.9377 · PC2 1.302PC1 5.006 · PC2 -0.9502PC1 5.399 · PC2 -1.027PC1 -2.543 · PC2 0.6569PC1 -2.498 · PC2 0.6763PC1 -2.474 · PC2 0.677PC1 1.283 · PC2 -0.163PC1 1.104 · PC2 -0.08332PC1 1.023 · PC2 -0.05912PC1 -3.975 · PC2 0.4286PC1 -3.959 · PC2 0.4212PC1 -3.975 · PC2 0.4161PC1 -4.275 · PC2 -0.3078PC1 -4.268 · PC2 -0.3528PC1 1.557 · PC2 0.6858PC1 -4.261 · PC2 -0.3676PC1 1.578 · PC2 0.6824PC1 1.645 · PC2 0.8029PC1 -0.924 · PC2 0.4743PC1 -0.8105 · PC2 0.465PC1 -0.7878 · PC2 0.4662PC1 -2.17 · PC2 -0.02733PC1 -2.142 · PC2 0.1615PC1 18.7 · PC2 3.128PC1 -2.437 · PC2 -0.04114PC1 18.76 · PC2 3.154PC1 18.68 · PC2 3.165PC1 2.161 · PC2 1.263PC1 12.26 · PC2 -2.459PC1 12.2 · PC2 -2.421PC1 12.17 · PC2 -2.408PC1 -0.6286 · PC2 -0.05656PC1 -0.1791 · PC2 0.3351PC1 2.16 · PC2 1.252PC1 -0.6874 · PC2 -0.06001PC1 2.335 · PC2 1.329PC1 -2.187 · PC2 0.08526PC1 -0.6608 · PC2 -7.588PC1 -0.6669 · PC2 -7.587PC1 0.6502 · PC2 -0.0334PC1 0.7842 · PC2 0.0659PC1 0.7548 · PC2 0.04512PC1 4.724 · PC2 0.7558PC1 4.481 · PC2 0.5391PC1 4.31 · PC2 0.4315PC1 0.4611 · PC2 0.3918PC1 0.6701 · PC2 0.5381PC1 0.4414 · PC2 0.3357PC1 0.2869 · PC2 0.4322PC1 0.2107 · PC2 0.4023PC1 0.1486 · PC2 0.3976PC1 -1.668 · PC2 -0.7238PC1 -1.805 · PC2 -0.8436PC1 -1.872 · PC2 -0.8572PC1 -2.393 · PC2 -0.2264PC1 -2.382 · PC2 -0.2165PC1 -2.369 · PC2 -0.205PC1 7.594 · PC2 -3.414PC1 7.327 · PC2 -3.444PC1 7.187 · PC2 -3.463PC1 -3.861 · PC2 -0.3804PC1 -4.001 · PC2 -0.4246PC1 -4.024 · PC2 -0.3434PC1 -1.649 · PC2 0.06352PC1 -1.531 · PC2 0.2013PC1 -1.564 · PC2 0.1864PC1 0.7572 · PC2 1.934PC1 0.09508 · PC2 1.324PC1 0.5615 · PC2 0.09289PC1 0.298 · PC2 -0.01979PC1 2.39 · PC2 -0.2314PC1 2.245 · PC2 -0.2629PC1 2.213 · PC2 -0.2598PC1 0.3309 · PC2 0.5058PC1 0.297 · PC2 0.4883PC1 0.2461 · PC2 0.4553PC1 1.348 · PC2 1.509PC1 -0.03257 · PC2 0.2703PC1 -0.002854 · PC2 0.2909PC1 -0.6205 · PC2 0.6769PC1 6.094 · PC2 -3.597PC1 6.999 · PC2 -2.41PC1 6.303 · PC2 -2.822PC1 0.4161 · PC2 0.03719PC1 -0.1887 · PC2 -0.2827PC1 -0.4151 · PC2 -0.3216PC1 0.2572 · PC2 -0.01467PC1 -1.985 · PC2 0.5654PC1 -2.034 · PC2 0.5217PC1 -1.855 · PC2 0.6823PC1 -5.917 · PC2 0.2593PC1 -5.923 · PC2 0.2408PC1 -5.937 · PC2 0.2231PC1 -1.439 · PC2 1.642PC1 -1.383 · PC2 1.646PC1 -1.329 · PC2 1.665PC1 -5.199 · PC2 -0.7978PC1 -5.171 · PC2 -0.79PC1 -5.215 · PC2 -0.8272PC1 -5.923 · PC2 1.429PC1 -5.822 · PC2 1.508PC1 -6.009 · PC2 1.334PC1 1.199 · PC2 1.214PC1 -4.653 · PC2 0.7658PC1 -4.363 · PC2 1.017PC1 -5.099 · PC2 0.3872PC1 1.295 · PC2 0.4018PC1 1.334 · PC2 0.4395PC1 1.438 · PC2 0.5265PC1 -0.4529 · PC2 1.486PC1 -0.5674 · PC2 1.349PC1 -0.5151 · PC2 1.389PC1 -2.033 · PC2 0.2302PC1 -2.113 · PC2 0.1292PC1 -1.87 · PC2 0.3252PC1 1.627 · PC2 1.125PC1 1.627 · PC2 1.124PC1 1.616 · PC2 1.123PC1 -1.648 · PC2 2.987PC1 -1.642 · PC2 2.992PC1 1.547 · PC2 1.174PC1 1.576 · PC2 1.193PC1 1.583 · PC2 1.198PC1 1.251 · PC2 0.9434PC1 -0.07025 · PC2 0.2063PC1 -0.72 · PC2 -0.2146PC1 -1.742 · PC2 -7.827PC1 -1.775 · PC2 -7.852PC1 -1.774 · PC2 -7.865PC1 -1.999 · PC2 1.112PC1 -3.246 · PC2 -0.01566PC1 -3.321 · PC2 -0.08367PC1 0.5092 · PC2 0.0843PC1 0.6319 · PC2 0.1166PC1 0.412 · PC2 0.0503PC1 -2.631 · PC2 -0.4151PC1 -2.645 · PC2 -0.3575PC1 -0.0919 · PC2 2.026PC1 2.648 · PC2 0.8471PC1 2.423 · PC2 0.7732PC1 2.297 · PC2 0.7654PC1 -3.205 · PC2 0.0539PC1 1.744 · PC2 4.651PC1 -3.587 · PC2 -0.2704PC1 -0.7313 · PC2 0.24PC1 -0.7249 · PC2 0.2523PC1 -0.7958 · PC2 0.2063PC1 -1.433 · PC2 -0.4781PC1 -1.783 · PC2 -0.3275PC1 -2.332 · PC2 -0.5149PC1 -3.061 · PC2 -0.09574PC1 -3.135 · PC2 -0.1518PC1 -3.169 · PC2 -0.1763PC1 (74.1%)PC2 (13.9%)165 scores
PCA explained variance0%25%50%75%100%PC1: 74.1% (cumulative 74.1%)1PC2: 13.9% (cumulative 88.0%)2PC3: 6.6% (cumulative 94.6%)3PC4: 2.0% (cumulative 96.6%)4PC5: 1.8% (cumulative 98.4%)5PC6: 1.3% (cumulative 99.7%)6PC7: 0.1% (cumulative 99.8%)7PC8: 0.1% (cumulative 99.9%)8PC9: 0.0% (cumulative 99.9%)9PC10: 0.0% (cumulative 99.9%)10cumulative explained variancePC variancecumulativeprincipal component · cumulative (dashed)

Metric interpretation reference

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

Variables

Targets 3

sample_class

target · categorical
sample_class classesadulterated_honeyadulterated_honey: 133133pure_honeypure_honey: 2121adulterated_honey_unknown_per…adulterated_honey_unknown_percent: 66pure_adulterantpure_adulterant: 55
n / missing165 / 0
Classes4
Balance (entropy)0.48
Imbalance ratio3e+01
Top classadulterated_honey (133)

adulterant_code

target · categorical
adulterant_code classesJMAFJMAF: 7272RSRS: 4848GLUGLU: 2424
n / missing165 / 21
Classes3
Balance (entropy)0.92
Imbalance ratio3
Top classJMAF (72)

adulteration_percent_value

target · categorical
adulteration_percent_value classes1.01.0: 21215.05.0: 21210.00.0: 21213.03.0: 19194.04.0: 18182.02.0: 15157.07.0: 121210.010.0: 12121.51.5: 666.06.0: 66+2 more+2 more: 88
n / missing165 / 6
Classes12
Balance (entropy)0.94
Imbalance ratio7
Top class1.0 (21)

Metadata 4

adulterant_name

metadata · categorical
adulterant_name classeshigh_fructose_corn_syrup_infe…high_fructose_corn_syrup_inferred_from_spanish_code: 7272rice_syrup_inferredrice_syrup_inferred: 4848glucoseglucose: 2424
n / missing165 / 21
Classes3
Balance (entropy)0.92
Imbalance ratio3
Top classhigh_fructose_corn_syrup_inferred_from_spanish_code (72)

honey_percent_inferred

metadata · numeric
honey_percent_inferred distribution0501000 – 4.167: 54.167 – 8.333: 08.333 – 12.5: 012.5 – 16.67: 016.67 – 20.83: 020.83 – 25: 025 – 29.17: 029.17 – 33.33: 033.33 – 37.5: 037.5 – 41.67: 041.67 – 45.83: 045.83 – 50: 050 – 54.17: 054.17 – 58.33: 058.33 – 62.5: 062.5 – 66.67: 066.67 – 70.83: 070.83 – 75: 075 – 79.17: 079.17 – 83.33: 083.33 – 87.5: 087.5 – 91.67: 391.67 – 95.83: 4295.83 – 100: 1000255075100
n / missing165 / 15
Mean ± SD93.55 ± 17.6
Median97
Range0 – 100
CV0.188
Skew / kurtosis-5.1 / 25
Normal?no

replicate_label

metadata · categorical
replicate_label classesaa: 4141bb: 4040cc: 4040dd: 1111ee: 1010ff: 1010hh: 55gg: 44ii: 33
n / missing165 / 1
Classes9
Balance (entropy)0.83
Imbalance ratio1e+01
Top classa (41)

parse_note

metadata · categorical
parse_note classesAdulterant name expanded from…Adulterant name expanded from raw code by domain convention, raw code is retained.: 111111Adulterant name expanded from…Adulterant name expanded from raw code by domain convention, raw code is retained. Percent value is a lower-bound label in the source identifier.: 99
n / missing165 / 45
Classes2
Balance (entropy)0.38
Imbalance ratio1e+01
Top classAdulterant name expanded from raw code by domain convention, raw code is retained. (111)
Constant metadata 18
  • repository_urlhttps://github.com/nevernervous78/nirpyresearch
  • blog_urlhttps://nirpyresearch.com/aquagrams-python-matplotlib/
  • licenseMIT License
  • license_urlhttps://raw.githubusercontent.com/nevernervous78/nirpyresearch/master/LICENSE
  • rights_statusexplicit_open
  • usage_scopepublic_reuse_possible
  • public_release_allowedTrue
  • spectroscopy_typeNIR
  • axis_unitcm^-1
  • axis_min1315
  • axis_max1.473e+04
  • axis_directiondescending_in_source
  • secondary_axis_unitnm
  • secondary_axis_min679
  • secondary_axis_max7,610
  • n_points_original450
  • adulteration_percent_operator>
  • notesSource CSV has two spectral-axis rows: column headers are cm^-1 while the first data row stores matching nm values despite inverted source labels. The nm row was removed from X and retained here as secondary-axis metadata.

Alignment

Alignment levelsample
Sample id availableyes
Samples165
Observations (total)165
Reps per samplemin 1 · mean 1 · max 1

Provenance & citation

ContributorNirpy Research GitHub Honey2021.csv
Origin · url [open]https://github.com/nevernervous78/nirpyresearch/blob/master/data/Honey2021.csv — GitHub
Origin · url [open]https://nirpyresearch.com/aquagrams-python-matplotlib/
Origin · url [open]https://raw.githubusercontent.com/nevernervous78/nirpyresearch/master/LICENSE
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.
RedistributionMIT license permits use, copy, modification, publication, distribution, sublicensing and sale with copyright/license notice.
Content version1.0.0
Schema / protocol2.0
Content hashd1c1e1771e58e97e…
Processing hash2ca38e2e1f1eeb5a…
Metadata hash5903197db693037f…

Load this dataset

# pip install nirs4all-datasets
from nirs4all_datasets import get

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