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Table 1 PLS model performance with different pretreatments

From: Online near-infrared analysis coupled with MWPLS and SiPLS models for the multi-ingredient and multi-phase extraction of licorice (Gancao)

Quality parameter Pretreatments Latent Calibration set Validation set Prediction set
factors RMSEC R2 RMSECV R2 RMSEP R2
Glycyrrhizic Raw 5 0.0364 0.9960 0.0453 0.9940 0.0479 0.9903
acid SG (9) 5 0.0495 0.9926 0.0662 0.9872 0.1023 0.9556
  SG (11) 5 0.0496 0.9926 0.0657 0.9874 0.0447 0.9915
  SG (11) + 1D 5 0.0980 0.9710 0.2550 0.8100 0.2045 0.8225
  SG (11) + 2D 5 0.4151 0.4800 0.5397 0.1493 0.5121 0.1128
  MSC 4 0.0775 0.9819 0.0948 0.9738 0.0847 0.9695
  SNV 4 0.0783 0.9815 0.0955 0.9734 0.0861 0.9686
  OSC 1 0.0234 0.9984 0.0274 0.9978 0.1004 0.9587
  WDS 5 0.0484 0.9929 0.0620 0.9888 0.0379 0.9941
  Normalize 5 0.0381 0.9956 0.0607 0.9892 0.0495 0.9896
Liquiritin Raw 4 0.0137 0.9909 0.0182 0.9844 0.0090 0.9958
  SG (9) 4 0.0138 0.9906 0.0163 0.9874 0.0121 0.9924
  SG (11) 5 0.0139 0.9906 0.0163 0.9874 0.0122 0.9923
  SG (11) + 1D 5 0.0225 0.9752 0.0587 0.8370 0.0465 0.8885
  SG (11) + 2D 5 0.1031 0.4798 0.1320 0.1746 0.1192 0.2671
  MSC 4 0.0146 0.9896 0.0180 0.9846 0.0158 0.9871
  SNV 4 0.0148 0.9893 0.0181 0.9845 0.0161 0.9866
  OSC 1 0.0050 0.9988 0.0058 0.9984 0.0161 0.9866
  WDS 4 0.0144 0.9899 0.0166 0.9869 0.0126 0.9918
  Normalize 3 0.0185 0.9832 0.0217 0.9778 0.0165 0.9859
Isoliquiritin Raw 4 0.0038 0.9339 0.0044 0.9151 0.0029 0.9545
  SG (9) 4 0.0039 0.9302 0.0044 0.9134 0.0029 0.9554
  SG (11) 4 0.0004 0.9293 0.0045 0.9129 0.0029 0.9555
  SG (11) + 1D 5 0.0028 0.9652 0.0066 0.8081 0.0050 0.8636
  SG (11) + 2D 1 0.0111 0.4320 0.0146 0.0686 0.0130 0.0865
  MSC 4 0.0035 0.9441 0.0042 0.9224 0.0034 0.9388
  SNV 4 0.0035 0.9432 0.0042 0.9220 0.0034 0.9388
  OSC 1 0.0020 0.9988 0.0021 0.9987 0.0144 0.9169
  WDS 2 0.0058 0.9301 0.0062 0.9089 0.0070 0.9049
  Normalize 4 0.0038 0.9335 0.0044 0.9142 0.0032 0.9467
Total flavonoids Raw 4 0.0717 0.9870 0.0785 0.9849 0.0484 0.9927
  SG (9) 5 0.0739 0.9862 0.0953 0.9778 0.0590 0.9891
  SG (11) 5 0.0734 0.9864 0.0956 0.9776 0.0922 0.9734
  SG (11) + 1D 5 0.1062 0.9752 0.2984 0.7823 0.1950 0.8811
  SG (11) + 2D 1 0.4615 0.4621 0.5937 0.1381 0.5538 0.0411
  MSC 4 0.0645 0.9895 0.0925 0.9791 0.0623 0.9879
  SNV 4 0.0902 0.9795 0.1084 0.9713 0.0973 0.9704
  OSC 1 0.0903 0.9794 0.1081 0.9715 0.0989 0.9695
  WDS 5 0.0412 0.9957 0.0450 0.9951 0.1480 0.9315
  Normalize 5 0.0722 0.9868 0.0890 0.9807 0.0539 0.9909