Analytical Chemistry

(Chris Devlin) #1
Figure 9.26
(a) Typical NIR spectrum of ground wheat.
(b) NIR spectra of a chiral pharmaceutical compound.

282, 356) and chemometric software packages (p. 525) enable data to be collected and processed in
seconds. The basis of the complex computations required is multivariate statistics, a branch of
chemometrics employing such mathematical and statistical techniques as multiple linear regression
(MLR) principal component analysis (PCA) and partial least squares (PLS) regression. However, a
description of these techniques is beyond the scope

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