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. 2022 Dec 20;12(1):4. doi: 10.3390/foods12010004

Table 3.

Fitting statistics of prediction models for ground cocoa traits developed using cross-validation results for benchtop (NIR FOSS DS 2500) and portable (PoliSpec NIR) NIR-spectrometers.

FOSS DS 2500
Math Treatment Constituent N Mean SD SEcal R2cal SEcv R2cv RPD
NONE 1441 Fat 56 2.45 0.27 0.11 0.84 0.13 0.76 2.11
SNV_DET 0011 Protein 54 0.77 0.11 0.02 0.95 0.03 0.91 3.40
NONE 2551 TPC 55 3.04 0.65 0.51 0.40 0.59 0.16 1.10
MSC 0011 pH 50 5.57 0.37 0.08 0.95 0.13 0.88 2.96
NONE 1441 TA 52 16.69 3.86 0.80 0.96 1.43 0.86 2.70
NONE 1441 FI 55 1.29 0.50 0.27 0.70 0.38 0.42 1.31
MSC 0011 DM 56 94.51 0.59 0.15 0.94 0.18 0.90 3.20
MSC 0011 Ash 50 0.16 0.03 0.01 0.90 0.01 0.89 2.98
PoliSPEC-NIR
Math Treatment Constituent N Mean SD SEcal R2cal SEcv R2cv RPD
NONE 2551 Fat 52 2.45 0.27 0.09 0.88 0.12 0.82 2.34
NONE 0011 Protein 53 0.77 0.11 0.04 0.84 0.05 0.79 2.17
MSC 0011 TPC 55 3.04 0.65 0.50 0.42 0.57 0.23 1.14
NONE 1441 pH 53 5.56 0.36 0.11 0.90 0.18 0.74 1.98
NONE 0011 TA 51 17.23 4.07 1.14 0.92 1.76 0.81 2.32
NONE 0011 FI 56 1.29 0.49 0.41 0.33 0.42 0.26 1.17
NONE 0011 DM 54 94.54 0.59 0.25 0.81 0.27 0.79 2.17
NONE 1441 Ash 54 0.16 0.03 0.01 0.89 0.01 0.76 2.08

NONE = no correction; SNV_DET = SNV and detrend; MSC = multiplicative scatter correction; SD = standard deviation of reference data selected; SEcal = standard error in calibration; R2cal = coefficient of determination of calibration; SEcv = standard error in cross-validation; R2cv = coefficient of determination of cross-validation. TPC = total phenolic compound; TA = titratable acidity; FI = fermentation index; DM = dry matter.