Table 2.
Experimental domain and RMSEp for the two-level full factorial design employed during ANN factor screening process.
| Hidden units (X1) | Iteration cycles (X2) | Spectra region [1/cm] (X3) | Transformation (X4) | RMSEp |
|
|---|---|---|---|---|---|
| Crystalline | Amorphous | ||||
| 2 | 1000 | 800–1800 | Untreated | 1.22 ± 0.29 | 2.14 ± 0.57 |
| 2 | 5000 | 800–1800 | Untreated | 1.03 ± 0.01 | 2.81 ± 0.06 |
| 2 | 1000 | 2800–3500 | Untreated | 6.03 ± 0.45 | 3.32 ± 0.18 |
| 2 | 5000 | 2800–3500 | Untreated | 6.00 ± 0.02 | 3.74 ± 0.01 |
| 2 | 1000 | 800–1800 | 2nd derivative | 0.98 ± 0.04 | 2.80 ± 0.03 |
| 2 | 5000 | 800–1800 | 2nd derivative | 1.03 ± 0.01 | 2.74 ± 0.06 |
| 2 | 1000 | 2800–3500 | 2nd derivative | 7.09 ± 0.71 | 5.38 ± 0.28 |
| 2 | 5000 | 2800–3500 | 2nd derivative | 7.50 ± 0.10 | 5.44 ± 0.10 |
| 5 | 3000 | 800–1800 | Untreated | 6.74 ± 1.45 | 12.91 ± 1.52 |
| 5 | 3000 | 2800–3500 | Untreated | 5.63 ± 0.93 | 3.58 ± 0.27 |
| 5 | 3000 | 800–1800 | 2nd derivative | 0.86 ± 0.15 | 2.69 ± 0.07 |
| 5 | 3000 | 2800–3500 | 2nd derivative | 6.61 ± 0.87 | 6.94 ± 2.13 |
| 8 | 1000 | 800–1800 | Untreated | 3.00 ± 0.61 | 3.86 ± 0.07 |
| 8 | 5000 | 800–1800 | Untreated | 6.38 ± 0.14 | 11.41 ± 0.09 |
| 8 | 1000 | 2800–3500 | Untreated | 6.64 ± 0.73 | 3.93 ± 0.26 |
| 8 | 5000 | 2800–3500 | Untreated | 6.28 ± 1.72 | 4.05 ± 0.48 |
| 8 | 1000 | 800–1800 | 2nd derivative | 1.01 ± 0.06 | 2.80 ± 0.02 |
| 8 | 5000 | 800–1800 | 2nd derivative | 2.19 ± 0.72 | 4.28 ± 1.00 |
| 8 | 1000 | 2800–3500 | 2nd derivative | 7.00 ± 0.68 | 4.51 ± 0.99 |
| 8 | 5000 | 2800–3500 | 2nd derivative | 6.11 ± 0.72 | 6.83 ± 0.50 |