Method | SEL validation1,a | SEP2,a | RMSEP3,a | r-Val4 | R2Val5 | Outliers6 |
---|---|---|---|---|---|---|
Raman 2 nd deriv (19 pt) + SNV 32 scans | 0.05 | 0.14 | 0.13 | 0.89 ± 0.04 | 0.79 ± 0.08 | 1 |
Raman 1 st deriv (7 pt) + EMSC 32 scans | 0.05 | 0.13 | 0.13 | 0.91 ± 0.02 | 0.83 ± 0.04 | 1 |
Raman EMSC + 2 nd deriv (15 pt) 96 scans | 0.05 | 0.14 | 0.15 | 0.90 ± 0.02 | 0.81 ± 0.04 | 0 |
Raman 2 nd deriv (15 pt) + SNV 96 scans | 0.06 | 0.17 | 0.16 | 0.86 ± 0.02 | 0.74 ± 0.04 | 0 |
MIR EMSC + 2 nd deriv (15 pt) | 0.05 | 0.14 | 0.13 | 0.87 ± 0.06 | 0.8 ± 0.1 | 1 |
MIR 2 nd deriv (17 pt) + MSC | 0.05 | 0.14 | 0.14 | 0.91 ± 0.01 | 0.83 ± 0.01 | 1 |
MIR 2 nd deriv (17 pt) + SNV | 0.05 | 0.15 | 0.15 | 0.87 ± 0.02 | 0.76 ± 0.03 | 1 |
NIR EMSC + 2 nd deriv (25 pt) | 0.06 | 0.19 | 0.20 | 0.79 ± 0.01 | 0.62 ± 0.01 | 0 |
NIR 2 nd deriv (25 pt) + MSC | 0.06 | 0.18 | 0.18 | 0.82 ± 0.04 | 0.67 ± 0.07 | 1 |
NIR 2 nd deriv (25 pt) + SNV | 0.06 | 0.22 | 0.21 | 0.80 ± 0.04 | 0.65 ± 0.07 | 1 |