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. 2020 Dec 8;2:100064. doi: 10.1016/j.ijpx.2020.100064

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