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. 2018 Jan 8;8:89. doi: 10.1038/s41598-017-18458-9

Table 1.

Prediction results of PLS-DA models of BFL built by different variable selection methods.

Primary ID 886 spectral variables 40 spectral variables by CARS 95 spectral variables by MC-UVE 90 spectral variables by SPA 129 spectral variables by LPG
AC CC Ypre Ydev AC CC Ypre Ydev AC CC Ypre Ydev AC CC Ypre Ydev AC CC Ypre Ydev
BFL-01 1 1 0.836 0.116 1 1 1.001 0.001 1 1 0.654 0.245 1 1 1.023 0.016 1 1 0.805 0.138
BFL-05 1 1 1.629 0.445 1 1 0.774 0.160 1 1 0.644 0.252 1 1 1.23 0.163 1 1 0.548 0.320
BFL-20 1 1 1.536 0.379 1 1 0.834 0.117 1 1 0.541 0.324 1 1 0.805 0.138 1 1 0.749 0.178
BFL-34 1 1 1.618 0.437 1 1 0.719 0.199 1 1 0.621 0.268 1 1 1.205 0.145 1 1 0.762 0.168
BFL-40 1 1 0.835 0.117 1 1 1.168 0.119 1 1 0.711 0.204 1 1 1.577 0.408 1 1 0.822 0.126
BFL-48 1 SU 1.782 0.553 1 1 1.119 0.084 1 1 0.685 0.223 1 1 1.400 0.283 1 1 0.725 0.194
BFL-33 2 2 2.004 0.003 2 2 2.084 0.059 2 2 1.756 0.173 2 2 1.849 0.107 2 2 1.758 0.171
BFL-42 2 SU 2.635 0.450 2 2 1.554 0.315 2 2 1.539 0.326 2 2 1.87 0.092 2 2 1.682 0.225
BFL-49 2 2 1.928 0.051 2 2 1.593 0.288 2 2 2.192 0.136 2 2 1.963 0.026 2 2 1.920 0.057
BFL-54 2 2 1.845 0.110 2 2 1.967 0.023 2 2 1.963 0.026 2 2 1.72 0.198 2 2 1.821 0.126
BFL-55 2 2 1.751 0.176 2 2 1.942 0.041 2 2 1.882 0.083 2 2 2.034 0.024 2 2 1.716 0.201
BFL-12 3 3 2.802 0.140 3 3 3.019 0.013 3 3 2.562 0.310 3 3 2.88 0.085 3 3 2.575 0.300
BFL-15 4 4 3.844 0.110 4 4 4.593 0.419 4 4 3.744 0.181 4 4 3.876 0.088 4 4 3.582 0.296
BFL-37 4 4 3.948 0.037 4 4 3.712 0.204 4 4 3.720 0.198 4 4 3.9 0.071 4 4 3.807 0.137
BFL-47 4 4 3.893 0.076 4 4 3.873 0.090 4 4 3.861 0.098 4 4 3.657 0.243 4 4 3.817 0.129
BFL-04 5 SU 5.653 0.462 5 5 4.901 0.070 5 5 4.782 0.154 5 5 4.565 0.308 5 5 4.576 0.300
BFL-13 5 5 4.813 0.132 5 5 5.126 0.089 5 5 5.117 0.083 5 5 4.685 0.223 5 5 4.790 0.149
BFL-16 5 5 4.904 0.068 5 5 5.047 0.033 5 5 4.751 0.176 5 5 4.818 0.129 5 5 5.013 0.009
BFL-25 5 5 4.965 0.025 5 5 4.829 0.121 5 5 4.995 0.004 5 5 4.762 0.168 5 5 4.829 0.121
Accuracy (%) 84.21 100 100 100 100
R 2 0.940 0.977 0.966 0.972 0.970
RMSECV 0.290 0.181 0.219 0.197 0.208
RMSEP 0.382 0.239 0.289 0.260 0.274

Note: AC (Actual class), CC (Calculated class), Ypre (Predicted value), Ydev (Deviation), SU (Suspicious).