[Simultaneous spectrophotometric determination of three-component mixture by two partial least squares methods].
Two partial least squares methods, classical partial least squares (PLS) and partial least squares based on a kernel algorithm (KPLS), were studied for simultaneous determination of a three-component mixture. Three programs called SPGRAFA, SPGRPLS and SPGRKPLS were designed to perform the calculations. Eight error functions were calculated for deducing the number of factors. Because the size of the kernal matrix was much smaller than the original data matrix, the KPLS applied to calculating the matrix with many wavelengths and fewer number of samples. Experimental results showed both methods to be successful even there was overlap of spectra and agreed well.
Gao
L
L
Department of Chemistry, Inner Mongolian University, Huhehot.
Ren
S
S