Use of convexity for finding pure variables in two-way data from mixtures

被引：68

作者：

Grande, BV ^{[1
]}

Manne, R ^{[1
]}

机构：

[1] Univ Bergen, Dept Chem, NO-5007 Bergen, Norway

来源：

CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS | 2000年 / 50卷 / 01期

关键词：

convexity; two-way data; key variables; extreme points;

D O I：

10.1016/S0169-7439(99)00041-6

中图分类号：

TP [自动化技术、计算机技术];

学科分类号：

0812 ;

摘要：

The principles for finding pure (or key) variables in two-way non-negative data from mixtures are discussed. It is shown that with a normalization to constant projection on a given vector one obtains a convex and bounded representation of the data with the pure variables as extreme points. An algorithm based upon this observation is compared with other methods for the same purpose and tested using data from the literature. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：19 / 33

页数：15

共 29 条

[1] AN EXTENSION OF THE MULTIVARIATE COMPONENT-RESOLUTION METHOD TO 3 COMPONENTS
BORGEN, OS
KOWALSKI, BR
[J]. ANALYTICA CHIMICA ACTA, 1985, 174 (AUG) : 1 - 26
[2] BORGEN OS, 1986, MIKROCHIM ACTA, V2, P63
[3] Evaluation of the orthogonal projection approach (OPA) and the SIMPLISMA approach on the Windig standard spectral data sets
De Braekeleer, K
Massart, DL
[J]. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1997, 39 (02) : 127 - 141
[4] THE GEOMETRY OF MULTIVARIATE OBJECT PREPROCESSING
DEMING, SN
PALASOTA, JA
NOCERINO, JM
[J]. JOURNAL OF CHEMOMETRICS, 1993, 7 (05) : 393 - 425
[5] A PRIORI ESTIMATES OF THE ELUTION PROFILES OF THE PURE COMPONENTS IN OVERLAPPED LIQUID-CHROMATOGRAPHY PEAKS USING TARGET FACTOR-ANALYSIS
GEMPERLINE, PJ
[J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1984, 24 (04): : 206 - 212
[6] Resolution of infrared spectra and kinetic analysis of mutarotation of D-mannose in water
Grande, BV
Kallevik, H
Libnau, FO
Kvalheim, OM
[J]. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1999, 45 (1-2) : 7 - 21
[7] PROFESSOR BORGEN,ODD,SERGEI - IN-MEMORIAM
HELLAND, K
BRUVOLL, T
ESBENSEN, K
KOWALSKI, B
[J]. JOURNAL OF CHEMOMETRICS, 1995, 9 (03) : 139 - 141
[8] THE SPECTRUM RECONSTRUCTION PROBLEM - USE OF ALTERNATING REGRESSION FOR UNEXPECTED SPECTRAL COMPONENTS IN 2-DIMENSIONAL SPECTROSCOPIES
KARJALAINEN, EJ
[J]. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1989, 7 (1-2) : 31 - 38
[9] OPTIMIZED SCALING - A NOVEL-APPROACH TO LINEAR CALIBRATION WITH CLOSED DATA SETS
KARSTANG, TV
MANNE, R
[J]. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1992, 14 (1-3) : 165 - 173
[10] KOWALSKI BR, 1997, COMMUNICATION

← 1 2 3 →