Chemometrics Calculations with Microsoft Excel (1) –Matrix Calculations and Multi Regression–

Abstract

Although chemometrics has become widely used recently for analyzing experimental chemical data, there exist in Japan only a few instructions for the proper usage of chemometrics except for some introductory books. We have found that Microsoft Excel (Excel) is convenient, inexpensive, and popular software for chemometrics calculations especially for educational purposes. In this paper, the first of a series on chemometrics calculations with Excel, instructions for matrix calculations and thier applications to multivariate analysis with Excel are described in detail. Array formulas and array calculations are explained in relation to basic handlings of matrix (e.g. calculations of determination and inverse matrices). We also demonstrate applications of array formulas to calculations of polynomial curves, and to curve fittings.