Multivariate concentration determination using principal component regression with residual analysis.

Research paper by Richard B RB Keithley, Michael L ML Heien, R Mark RM Wightman

Indexed on: 18 Feb '10Published on: 18 Feb '10Published in: Trends in Analytical Chemistry


Data analysis is an essential tenet of analytical chemistry, extending the possible information obtained from the measurement of chemical phenomena. Chemometric methods have grown considerably in recent years, but their wide use is hindered because some still consider them too complicated. The purpose of this review is to describe a multivariate chemometric method, principal component regression, in a simple manner from the point of view of an analytical chemist, to demonstrate the need for proper quality-control (QC) measures in multivariate analysis and to advocate the use of residuals as a proper QC method.