Table 5.
Overview of models (including pre-processing details) created for Trial 2.
| Model Number | Type (with Details of Processing Applied) | R2 | Q2 |
|---|---|---|---|
| M7 | PLS-DA (no processing; par scaling) | 0.989 | 0.749 |
| M8 | PLS-DA (SNV; par scaling) | 0.929 | 0.763 |
| M9 | PLS-DA (SNV + 1st Der + SG; par scaling) | 0.802 | 0.734 |
| M10 | PLS-DA (SNV + 2nd Der + SG; par scaling) | 0.745 | 0.784 |
| M11 | PLS-DA (1st Der + SG + SNV; par scaling) | 0.826 | 0.757 |
| M12 | PLS-DA (2nd Der + SG + SNV; par scaling) | 0.706 | 0.794 |
| M13 | OPLS-DA (no processing; par scaling) | 0.99 | 0.852 |
| M14 | OPLS-DA (SNV; par scaling) | 0.912 | 0.802 |
| M15 | OPLS-DA (SNV + 1st Der + SG; par scaling) | 0.761 | 0.709 |
| M16 | OPLS-DA (SNV + 2nd Der + SG; par scaling) | 0.744 | 0.806 |
| M17 | OPLS-DA (1st Der + S-G + SNV; par scaling) | 0.825 | 0.779 |
| M18 | OPLS-DA (2nd Der + S-G + SNV; par scaling) | 0.704 | 0.822 |