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. 2019 Jul 31;24(15):2795. doi: 10.3390/molecules24152795

Table 1.

Calibration, cross-validation, and external validation (prediction) of the best models obtained to predict the total soluble solids, anthocyanins and total polyphenols concentrations in grape clusters under field conditions from on-the-go Vis + SW − NIR spectroscopy (570–990 nm).

Calibration Cross-Validation External Validation
Parameters Spectral Treatment N SD Range PLS Factor RMSEC R2c RMSECV R2cv RMSEP R2p
Total soluble solidsBrix) D1W15 116 4.403 10.70–25.20 7 1.119 0.93 1.248 0.92 1.011 0.95
Anthocyanins
(mg/berry)
D1W15 116 1.329 0.09–4.64 6 0.607 0.79 0.664 0.75 0.618 0.79
Total polyphenols
(Au/berry)
SNV + DT D1W15 116 0.947 0.14–4.70 7 0.642 0.54 0.728 0.42 0.749 0.43

SNV: standard normal variate. DnWm, Savitzky–Golay filter with n-degree derivative, window size of m. N: number of samples used for calibration and cross-validation models after outlier detection. SD: standard deviation. RMSEC: root mean square error of calibration. R2c: determination coefficient of calibration. RMSECV: root mean square error of cross-validation. R2cv: determination coefficient of cross-validation. RMSEP: root mean square error of prediction. R2p: determination coefficient of prediction.