RANK DETERMINATION OF SPECTROSCOPIC PROFILES BY MEANS OF CROSS-VALIDATION - THE EFFECT OF REPLICATE MEASUREMENTS ON THE EFFECTIVE DEGREES OF FREEDOM

被引：9

作者：

GRUNG, B ^{[1
]}

KVALHEIM, OM ^{[1
]}

机构：

[1] UNIV BERGEN, DEPT CHEM, N-5007 BERGEN, NORWAY

来源：

CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS | 1994年 / 22卷 / 01期

关键词：

D O I：

10.1016/0169-7439(93)E0040-B

中图分类号：

TP [自动化技术、计算机技术];

学科分类号：

0812 ;

摘要：

In the present work the effect of sample replication and 'true' instrumental resolution on the number of significant latent variables obtained by cross validation is investigated. Three sample sets containing three and four chemical components were prepared according to mixture design. The samples were analysed by Fourier transform infrared spectroscopy, and cross validation was performed using the predicted residual error sum of squares (PRESS) algorithm with a varying number of degrees of freedom. It was found that the correct number of chemical components could be estimated precisely from the instrumental data (the X matrix) presuming that the degrees of freedom were corrected for the above-mentioned effects.

引用

页码：115 / 125

页数：11

共 22 条

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