Table 1.
Overview of supervised models generated for Trial 1.
| Model Number | Type (with Details of Pre-Processing Applied) | R2 | Q2 |
|---|---|---|---|
| M3 | PLS-DA (with SNV; par scaling) | 0.926 | 0.914 |
| M4 | PLS-DA (with SNV, 1st D, SG, and par scaling) | 0.832 | 0.882 |
| M5 | PLS-DA (with SNV, 2nd D, SG, and par scaling) | 0.796 | 0.888 |
| M6 | PLS-DA (with 1st D, SG, SNV, and par scaling) | 0.805 | 0.88 |
| M7 | PLS-DA (with 2nd D, SG, SNV, and par scaling) | 0.776 | 0.874 |
| M14 | PLS-DA (no processing; par scaling) | 0.991 | 0.877 |
| M8 | OPLS-DA (with SNV; par scaling) | 0.926 | 0.915 |
| M9 | OPLS-DA (with SNV, 1st D, SG, and par scaling) | 0.736 | 0.865 |
| M10 | OPLS-DA (with SNV, 2nd D, SG, and par scaling) | 0.779 | 0.883 |
| M11 | OPLS-DA (1st D, SG, SNV, and par scaling) | 0.806 | 0.882 |
| M12 | OPLS-DA (2nd D, SG, SNV, and par scaling) | 0.757 | 0.882 |
| M13 | OPLS-DA (no processing; par scaling) | 0.982 | 0.8 |