Technical Paper

Chemometrics Calculations with Microsoft Excel (2) - Iterative Calculation -


Graduate School of Agriculture, Tokyo University of Agriculture and Technology
3-5-8 Saiwaicho Fuchu, Tokyo 183-8509 Japan

(Received: October 1, 2009; Accepted for publication: October 9, 2009)

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, as the second report for chemometrics calculations with Excel, the procedure of iterative calculation is explained using an example of solving an eigenvalue problem, which is necessary for a principal component analysis (PCA). The power method is applied to solve the eigenvalue problem. Excel has peculiar action, the copied range is still valid after the paste operation. Iterative calculation is executed on Excel worksheet by using this action and redo command.

Keywords: Microsoft Excel, Chemometrics, Eigenvalue problem, Iterative calculation, Power method

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