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. 2015 Oct 22;6(1):64–69. doi: 10.1016/j.jpha.2015.10.001

Table 2.

Statistical parameters from external validation of the models for ternary and quaternary mixtures by adopting optimized wavelength ranges and 0.5 data interval.

Model Analyte PCs RMSEP RE (%) r2 Slope Offset
PCR PAR 3 0.7268 4.6353 0.9971 0.9871 0.1345
ASC 3 0.2414 3.2432 0.9961 0.9581 0.0154
CHL 3 0.0374 9.1643 0.9933 0.9881 0.0013
PAR 4 0.0725 0.7894 0.9999 1.0000 −0.0012
CAF 4 0.1028 5.6284 0.9934 0.9826 0.0194
CHL 4 0.1036 20.7917 0.9876 0.9505 0.0140
PHE 4 0.1154 23.1650 0.9701 0.9397 0.0182



PLS1 PAR 3 0.3707 2.3643 0.9992 0.9969 −0.0032
ASC 3 0.0907 2.9851 0.9994 0.9899 −0.0015
CHL 3 0.0136 3.2816 0.9991 0.9937 0.0017
PAR 4 0.1942 2.1152 0.9996 0.9982 0.0023
CAF 4 0.0894 3.3802 0.9951 0.9752 0.0195
CHL 4 0.0589 4.8168 0.9897 0.9716 0.0026
PHE 4 0.0636 3.6352 0.9913 0.9885 −0.0019



PLS2 PAR 3 0.7017 3.4754 0.9983 0.9944 −0.0178
ASC 3 0.0894 2.9423 0.9994 0.9962 −0.0012
CHL 3 0.0360 5.7047 0.9936 0.9914 0.0024
PAR 4 0.1707 1.8594 0.9997 0.9982 0.0007
CAF 4 0.1721 6.1228 0.9907 0.9817 0.0328
CHL 4 0.0739 5.8295 0.9840 0.9720 0.0132
PHE 4 0.0667 5.3928 0.9969 0.9869 −0.0015



MCR PAR 3 0.6921 4.4141 0.9974 0.9940 −0.0120
ASC 3 0.0844 3.7808 0.9984 0.9962 −0.0013
CHL 3 0.0145 5.5077 0.9990 0.9928 0.0025
PAR 4 0.1598 1.7400 0.9998 0.9989 −0.0076
CAF 4 0.1007 6.4332 0.9976 0.9655 0.0179
CHL 4 0.0607 8.1726 0.9921 0.9903 0.0029
PHE 4 0.0372 7.4667 0.9960 1.0021 −0.0070