Comparison of multivariate calibration techniques applied to experimental NIR data sets

被引：72
作者：
Centner, V
Verdú-Andrés, J
Walczak, B
Jouan-Rimbaud, D
Despagne, F
Pasti, L
Poppi, R
Massart, DL
de Noord, OE
机构：
[1] Free Univ Brussels, ChemoAC, B-1090 Brussels, Belgium
[2] Shell Int Chem BV, Shell Res & Technol Ctr, NL-1030 BN Amsterdam, Netherlands
[3] Silesian Univ, Katowice, Poland
[4] Univ Campinas, Campinas, Brazil
来源：
APPLIED SPECTROSCOPY | 2000年 / 54卷 / 04期
关键词：
calibration; multivariate; method comparison; NIR; nonlinearity; clustering;
D O I：
10.1366/0003702001949816
中图分类号：
TH7 [仪器、仪表];
学科分类号：
0804 ; 080401 ; 081102 ;
摘要：
The present study compares the performance of different multivariate calibration techniques applied to four near-infrared data sets when test samples are well within the calibration domain. Three types of problems are discussed: the nonlinear calibration, the calibration using heterogeneous data sets, and the calibration in the presence of irrelevant information in the set of predictors. Recommendations are derived from the comparison, which should help to guide a nonchemometrician through the selection of an appropriate calibration method for a particular type of calibration data. A flexible methodology is proposed to allow selection of an appropriate calibration technique for a given calibration problem.
引用
收藏
页码：608 / 623
页数：16
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