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

Table 1.

Statistical parameters from full-cross validation of all the chemometric models for ternary and quaternary mixtures in the range of 210–320 nm, data interval of 1 nm.

Model Analyte PCs RMSECV RE (%) r2 Slope Offset
PCR PAR 3 0.1842 1.17 0.9998 0.9988 0.0012
ASC 3 0.1953 6.43 0.9971 0.9752 0.0313
CHL 4 0.3488 56.30 0.7416 0.6458 0.0700
PAR 4 0.0733 0.7987 0.9999 0.9999 −0.0031
CAF 4 0.1036 9.7120 0.9933 0.9623 0.0201
CHL 5 0.1602 32.1449 0.9207 0.8437 0.0371
PHE 5 0.2733 54.8336 0.7490 0.6105 0.0974



PLS1 PAR 3 0.4823 3.08 0.9988 1.0086 −0.1246
ASC 3 0.2233 7.36 0.9961 0.9802 0.0391
CHL 4 0.0551 13.32 0.9853 0.9939 −0.0035
PAR 4 0.0733 0.7980 0.9999 0.9980 0.0169
CAF 4 0.1078 10.1029 0.9927 0.9612 0.0224
CHL 5 0.1621 26.5193 0.9187 0.8467 0.0371
PHE 5 0.1130 25.7415 0.9173 0.7854 0.0453



PLS2 PAR 3 0.7184 4.5819 0.9971 0.9877 0.1237
ASC 3 0.4330 14.2579 0.9857 0.9330 0.1174
CHL 4 0.4506 72.7338 0.6012 0.5966 0.0961
PAR 4 0.0738 0.8039 0.9999 1.0000 −0.0033
CAF 4 0.1078 10.1029 0.9927 0.9612 0.0224
CHL 5 0.1671 33.5223 0.9135 0.8264 0.0398
PHE 5 0.1694 33.9903 0.9125 0.8792 0.0452