Multivariate calibration - What is in chemometrics for the analytical chemist?

被引:158
作者
Bro, R [1 ]
机构
[1] Royal Vet & Agr Univ, Dept Dairy & Food Sci, DK-1958 Frederiksberg, Denmark
关键词
multivariate data analysis; exploratory; interferents; multi-way analysis;
D O I
10.1016/S0003-2670(03)00681-0
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
Chemometrics has been used for some 30 years but there is still need for disseminating the potential benefits to a wider audience. In this paper, we claim that proper analytical chemistry (1) must in fact incorporate a chemometric approach and (2) that there are several significant advantages of doing so. In order to explain this, an indirect route will be taken, where the most important benefits of chemometric methods are discussed using small illustrative examples. Emphasis will be on multivariate data analysis (for example calibration), whereas other parts of chemometrics such as experimental design will not be treated here. Four distinct aspects are treated in detail: noise reduction; handling of interferents; the exploratory aspect and the possible outlier control. Additionally, some new developments in chemometrics are described. (C) 2003 Elsevier B.V. All rights reserved.
引用
收藏
页码:185 / 194
页数:10
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