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Pre-processing parameters examined in machine learning grid search.
| Parameter | Variations | |||
|---|---|---|---|---|
| Normalisation (n) | None (0) | Min-max (1) | Vector (2) | Amide I (3) |
| Derivative (l) | None (0) | First (1) | Second (2) | - |
| Binning (b) | 1 | 2 | 4 | 8 |
| Smoothing with Savitzky–Golay filter (s) | None (0) | 2 | 3 | 4 |
| Spectral cut (p) | None (0) | 1800–1000 cm−1 | 1800–1200 cm−1 | - |
