Target transform fitting: a new method for the non-linear fitting of multivariate data with separable parameters

被引:15
作者
Jandanklang, P [1 ]
Maeder, M [1 ]
Whitson, AC [1 ]
机构
[1] Univ Newcastle, Dept Chem, Callaghan, NSW 2308, Australia
关键词
target transformation; data fitting; separation of parameters; minimization; optimization; kinetics; chromatography; multivariate curve resolution; reaction mechanism;
D O I
10.1002/cem.640
中图分类号
TP [自动化技术、计算机技术];
学科分类号
0812 ;
摘要
Data fitting is an important technique in chemistry. The number of parameters to be fitted is a most significant aspect: the larger the number, the more difficult the task. A unique combination of target factor analysis with nonlinear data fitting can result in complete or partial separation of the parameters, which can then be fitted independently. Thus, instead of one multiparameter fit, several fits are performed with only one or a few parameters. The procedure can also support model development. Applications in kinetics and chromatography are presented. Copyright (C) 2001 John Wiley & Sons, Ltd.
引用
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页码:511 / 522
页数:12
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