Can Angle Measures Be Useful in MCR Analyses?

IF 2.3 4区 化学 Q1 SOCIAL WORK Journal of Chemometrics Pub Date : 2024-08-15 DOI:10.1002/cem.3582
Klaus Neymeyr, Martina Beese, Hamid Abdollahi, Mathias Sawall
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Abstract

In MCR analyses, the similarity of pairs of spectra or concentration profiles can be measured in terms of the acute angle that is enclosed by the representing vectors. Acute angles between vectors can be generalized to pairs of subspaces. So‐called canonical angles, also called principal angles, measure the mutual orientation of a pair of subspaces. This work discusses how angles and canonical angles can support multivariate curve resolution analyses. A canonical angle analysis (CAA) can help to detect changes of the chemical composition during a chemical reaction in a way comparable, but different to the evolving factor analysis (EFA).
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角度测量在 MCR 分析中有用吗?
在 MCR 分析中,光谱或浓度曲线对的相似性可以用代表向量所围成的锐角来衡量。矢量之间的锐角可以推广到子空间对。所谓的典型角(也称为主角)可以测量一对子空间的相互方向。本研究将讨论角度和典型角度如何支持多元曲线解析分析。典型角分析 (CAA) 可以帮助检测化学反应过程中化学成分的变化,其方法与演化因子分析 (EFA) 类似,但又有所不同。
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来源期刊
Journal of Chemometrics
Journal of Chemometrics 化学-分析化学
CiteScore
5.20
自引率
8.30%
发文量
78
审稿时长
2 months
期刊介绍: The Journal of Chemometrics is devoted to the rapid publication of original scientific papers, reviews and short communications on fundamental and applied aspects of chemometrics. It also provides a forum for the exchange of information on meetings and other news relevant to the growing community of scientists who are interested in chemometrics and its applications. Short, critical review papers are a particularly important feature of the journal, in view of the multidisciplinary readership at which it is aimed.
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