Table 2 PLSr summary statistics. R2; coefficient of determination obtained from the training set; RMSEC: root mean squared error of calibration obtained from the training set; RMSEP: root mean squared error of prediction obtained after LOOV
n° of species | Temperature (°C) | n° of calibration spectra | R2 | RMSEC (% of DW) | RMSEP (% of DW) | n° of factors | % variance explained | Most relevant spectral predictors | |
|---|---|---|---|---|---|---|---|---|---|
Proteins | 3 | 15 & 25 | 30 | 0.95 | 2.6 | 6.27 | 7 | 94.65 | CH2 and C=O (lipids); Amide I and II (proteins); C-O-C (carbohydrates) |
Carbohydrates | 3 | 15 & 25 | 30 | 0.96 | 2 | 4.84 | 7 | 96.03 | C-O-C (carbohydrates) |
Lipids | 3 | 15 & 25 | 30 | 0.92 | 1.34 | 2.49 | 7 | 91.54 | CH2 (lipids); Amide I (proteins); C-O-C (carbohydrates) |