Various approaches to infrared multicomponent quantitative analysis including K-matrix, multivariate least-squares, principal component regression (PCR), and partial least-squares (PLS) are compared. The advantages and disadvantages of each are discussed. A particular implementation of the PLS method is detailed, with emphasis on the methods provided for calibration optimization and evaluation.
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WoldS.MartensH.WoldH., Proceedings, Conference on Matrix Pencils, RuheA.KagstromB., Eds., Lecture Notes in Mathematics (Springer-Verlag, Heidelberg, 1982).