Use and abuse of chemometrics in chromatography
Use and abuse of chemometrics in chromatography
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DOI：
10.1016/j.trac.2006.09.001
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发表时间：
2006-12-01
影响因子：
13.1
通讯作者：
Walczak, Beata
中科院分区：
文献类型：
--
作者：
Daszykowski, Michal;Walczak, Beata
本文介绍了在层析和化学计量学的界面上出现的相关问题的精选。在第一部分中，我们介绍了应用信号增强、翘曲和混合分析方法的优缺点。在第二部分中，我们讨论滥用和滥用化学计量学的典型例子，这些例子可能发生在那些不熟悉数据处理方法的人身上。最后，我们得出结论，色谱学家和化学计量学家社区之间的密切合作将使我们能够更深入地了解正在分析的色谱系统，并以高效、优雅的方式解决新的色谱问题。(C)2006爱思唯尔有限公司。保留所有权利。
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.