Spectra order | Zero | First derivative | Second derivative | Ratio spectra | Ratio derivative | Ratio 2nd derivative | |||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PLS | Parameter | ASP | CAF | ORP | ASP | CAF | ORP | ASP | CAF | ORP | ASP | CAF | ORP | ASP | CAF | ORP | ASP | CAF | ORP |
Calibration set | Mean | 99.78 | 100.32 | 99.51 | 99.81 | 100.00 | 100.20 | 99.97 | 100.31 | 100.56 | 98.02 | 103.50 | 102.55 | 98.72 | 104.04 | 103.45 | 99.63 | 106.17 | 105.22 |
RMSEP | 0.2304 | 0.2271 | 0.2571 | 0.2303 | 0.1699 | 0.2356 | 0.3074 | 0.3154 | 0.3228 | 3.4975 | 2.4447 | 3.1148 | 3.6164 | 2.6107 | 3.1372 | 2.9212 | 2.7890 | 2.9719 | |
PRESS | 0.9023 | 0.8771 | 1.1237 | 0.9019 | 0.4905 | 0.9432 | 1.6063 | 1.6910 | 1.7711 | 207.9551 | 101.5981 | 164.9332 | 222.3275 | 115.8640 | 167.3122 | 145.0681 | 132.2380 | 150.1522 | |
Validation set | Mean | 100.58 | 99.44 | 101.18 | 100.54 | 100.02 | 99.80 | 100.33 | 99.60 | 99.12 | 117.87 | 104.36 | 105.69 | 116.20 | 102.68 | 104.09 | 118.97 | 104.83 | 107.89 |
RMSEP | 0.1504 | 0.1503 | 0.3161 | 0.1743 | 0.1324 | 0.2590 | 0.2728 | 0.2459 | 0.2179 | 3.3262 | 4.1954 | 1.8864 | 2.9421 | 3.4651 | 1.7904 | 2.8550 | 2.6931 | 2.4248 | |
PRESS | 0.1808 | 0.1806 | 0.7996 | 0.2431 | 0.1402 | 0.5368 | 0.5954 | 0.4837 | 0.3798 | 88.5084 | 140.8140 | 28.4672 | 69.2457 | 96.0542 | 25.6439 | 65.2098 | 58.0221 | 47.0382 |