SELECTIVITY, LOCAL RANK, 3-WAY DATA-ANALYSIS AND AMBIGUITY IN MULTIVARIATE CURVE RESOLUTION

被引:832
作者
TAULER, R
SMILDE, A
KOWALSKI, B
机构
[1] UNIV AMSTERDAM,ANALYT CHEM LAB,1018 WV AMSTERDAM,NETHERLANDS
[2] UNIV WASHINGTON,CTR PROC ANALYT CHEM,SEATTLE,WA 98195
关键词
MULTIVARIATE CURVE RESOLUTION; 3-WAY DATA ANALYSIS; FACTOR ANALYSIS;
D O I
10.1002/cem.1180090105
中图分类号
TP [自动化技术、计算机技术];
学科分类号
0812 ;
摘要
A new multivariate curve resolution method is presented and tested with data of various levels of complexity. Rotational and intensity ambiguities and the effect of selectivity on resolution are the focus. Analysis of simulated data provides the general guidelines concerning the conditions for uniqueness of a solution for a given problem. Multivariate curve resolution is extended to the analysis of three-way data matrices. The particular case of three-way data where only one of the orders is common between slices is studied in some detail.
引用
收藏
页码:31 / 58
页数:28
相关论文
共 49 条
[1]   AN EXTENSION OF THE MULTIVARIATE COMPONENT-RESOLUTION METHOD TO 3 COMPONENTS [J].
BORGEN, OS ;
KOWALSKI, BR .
ANALYTICA CHIMICA ACTA, 1985, 174 (AUG) :1-26
[2]  
BORGEN OS, 1986, MIKROCHIM ACTA, V2, P63
[3]  
BROWN SD, 1992, ANAL CHEM, V64, pR22
[4]   INTERACTIONS OF H+ AND CU(II) IONS WITH POLY(ADENYLIC ACID) - STUDY BY FACTOR-ANALYSIS [J].
CASASSAS, E ;
TAULER, R ;
MARQUES, I .
MACROMOLECULES, 1994, 27 (07) :1729-1737
[5]   ELECTRON-PARAMAGNETIC RESONANCE AND VISIBLE SPECTROSCOPIC STUDIES OF MIXED-LIGAND COMPLEXES OF COPPER(II) ION, SALICYLATE ION, AND A NITROGEN BASE IN AQUEOUS-SOLUTION [J].
CASASSAS, E ;
IZQUIERDORIDORSA, A ;
TAULER, R .
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1990, (08) :2341-2345
[6]   CALCULATION OF EQUILIBRIUM-CONSTANTS FROM MULTIWAVELENGTH SPECTROSCOPIC DATA .3. MODEL-FREE ANALYSIS OF SPECTROPHOTOMETRIC AND ELECTRON-SPIN-RESONANCE TITRATIONS [J].
GAMPP, H ;
MAEDER, M ;
MEYER, CJ ;
ZUBERBUHLER, AD .
TALANTA, 1985, 32 (12) :1133-1139
[7]   QUANTIFICATION OF A KNOWN COMPONENT IN AN UNKNOWN MIXTURE [J].
GAMPP, H ;
MAEDER, M ;
MEYER, CJ ;
ZUBERBUEHLER, AD .
ANALYTICA CHIMICA ACTA, 1987, 193 :287-293
[8]   LOCAL PRINCIPAL COMPONENT MODELS, RANK MAPS AND CONTEXTUALITY FOR CURVE RESOLUTION AND MULTI-WAY CALIBRATION INFERENCE [J].
GELADI, P ;
WOLD, S .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1987, 2 (04) :273-281
[9]   A PRIORI ESTIMATES OF THE ELUTION PROFILES OF THE PURE COMPONENTS IN OVERLAPPED LIQUID-CHROMATOGRAPHY PEAKS USING TARGET FACTOR-ANALYSIS [J].
GEMPERLINE, PJ .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1984, 24 (04) :206-212
[10]  
Golub G.H., 1996, MATH GAZ, VThird