Exhaustive evolving factor analysis (E-EFA)

被引:22
作者
Whitson, AC [1 ]
Maeder, M [1 ]
机构
[1] Univ Newcastle, Dept Chem, Callaghan, NSW 2308, Australia
关键词
evolving factor analysis; concentration windows; overlapping peaks; resolution;
D O I
10.1002/cem.653
中图分类号
TP [自动化技术、计算机技术];
学科分类号
0812 ;
摘要
Reliable information about concentration windows is crucial for many self-modeling curve resolution (SMCR) methods. Algorithms based on evolving factor analysis (EFA)-type methods enable the detection of the beginnings and endings of concentration profiles. Often this is sufficient to define concentration windows. However, under certain circumstances the connection of beginnings and endings is ambiguous, and wrong connection results in erroneous analysis. Systematic rank analysis of all possible submatrices of a matrix of data can result in unambiguous identification of the correct connectivity of beginnings and endings of concentration profiles. Steps are proposed which accelerate the calculations dramatically. Copyright (C) 2001 John Wiley & Sons, Ltd.
引用
收藏
页码:475 / 484
页数:10
相关论文
共 24 条
[1]   APPLICATION OF AN EVOLVING FACTOR ANALYSIS-BASED PROCEDURE TO SPECIATION ANALYSIS IN THE COPPER(II) POLYURIDYLIC ACID SYSTEM [J].
CASASSAS, E ;
GARGALLO, R ;
GIMENEZ, I ;
IZQUIERDORIDORSA, A ;
TAULER, R .
ANALYTICA CHIMICA ACTA, 1993, 283 (01) :538-547
[2]   Purity assessment and resolution of tetracycline hydrochloride samples analysed using high-performance liquid chromatography with diode array detection [J].
De Braekeleer, K ;
de Juan, A ;
Massart, DL .
JOURNAL OF CHROMATOGRAPHY A, 1999, 832 (1-2) :67-86
[3]  
Delanay M.F., 1984, ANAL CHEM, V56, p261R
[4]   Soft- and hard-modeling approaches for the determination of stability constants of metal-peptide systems by voltammetry [J].
Díaz-Cruz, MS ;
Díaz-Cruz, JM ;
Mendieta, J ;
Tauler, R ;
Esteban, M .
ANALYTICAL BIOCHEMISTRY, 2000, 279 (02) :189-201
[5]   Multivariate curve resolution with alternating least squares optimisation:: a soft-modelling approach to metal complexation studies by voltammetric techniques [J].
Esteban, M ;
Ariño, C ;
Díaz-Cruz, JM ;
Díaz-Cruz, MS ;
Tauler, R .
TRAC-TRENDS IN ANALYTICAL CHEMISTRY, 2000, 19 (01) :49-61
[6]   CALCULATION OF EQUILIBRIUM-CONSTANTS FROM MULTIWAVELENGTH SPECTROSCOPIC DATA .4. MODEL-FREE LEAST-SQUARES REFINEMENT BY USE OF EVOLVING FACTOR-ANALYSIS [J].
GAMPP, H ;
MAEDER, M ;
MEYER, CJ ;
ZUBERBUHLER, AD .
TALANTA, 1986, 33 (12) :943-951
[7]   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
[8]   Computation of the range of feasible solutions in self-modeling curve resolution algorithms [J].
Gemperline, PJ .
ANALYTICAL CHEMISTRY, 1999, 71 (23) :5398-5404
[9]  
Golub GH, 2013, Matrix Computations, V4
[10]  
GRUNG B, 1995, CHEMOMETR INTELL LAB, V29, P213