4.7 Article

Use and abuse of chemometrics in chromatography

期刊

TRAC-TRENDS IN ANALYTICAL CHEMISTRY
卷 25, 期 11, 页码 1081-1096

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ELSEVIER SCI LTD
DOI: 10.1016/j.trac.2006.09.001

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de-noising; mixture analysis; signal alignment; warping; wavelets

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This article presents a selection of the relevant issues that emerge at the interface between chromatography and chemometrics. In the first part, we present advantages and drawbacks of applying signal-enhancement, warping and mixture-analysis methods. In the second part, we discuss typical examples of misuse and abuse of chemometrics that can occur with those less familiar with the data-processing approaches. Finally, we conclude that close collaboration between the communities of chromatographers and chemometricians will allow a deeper insight into the chromatographic systems being analyzed and permit new chromatographic problems to be solved in an efficient, elegant manner. (c) 2006 Elsevier Ltd. All rights reserved.

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