A GENERAL PROCEDURE FOR TRANSFORMATION OF ABSTRACT FACTOR SOLUTION TO REAL ONE IN PRESENCE OF LINEAR CONSTRAINTS - AN APPLICATION FOR CHEMICAL-COMPONENT ANALYSIS FROM NMR DATA

被引：7

作者：

LAATIKAINEN, R

TUPPURAINEN, K

机构：

[1] Department of Chemistry, University of Kuopio, SF-70211 Kuopio

来源：

COMPUTERS & CHEMISTRY | 1990年 / 14卷 / 02期

关键词：

D O I：

10.1016/0097-8485(90)80016-U

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A general procedure is described for transformation of abstract factor space into real space. The transformation matrix is derived iteratively by a Newton-Raphson procedure. One can incorporate any required linear constraints for the matrix elements of the real solution and one can require that scores and loadings are positive and that the sum of scores for each case is equal to one. The "least-square target forcing" procedure can be applied, for example, for chemical component analysis from spectroscopic data. An example is discussed and the listing of the program FACTJOB is given. © 1990.

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页码：109 / 126

页数：18

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