New convergence criterion for multi-variable curve resolution

被引:4
作者
Gan, F
Hopke, PK
机构
[1] Clarkson Univ, Dept Chem Engn, Potsdam, NY 13699 USA
[2] Zhongshan Univ, Sch Chem & Chem Engn, Guangzhou 510275, Peoples R China
关键词
convergence criterion; multivariable curve resolution; completion;
D O I
10.1016/j.aca.2003.08.019
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
The traditional convergence criterion of the minimized sum of squared residuals does not always provide sufficient information to properly terminate the iterative process used in the multi-variable curve resolution problem. Thus, a new convergence criterion is proposed. The resolution results for both simulated and the real chromatographic system data show that the new convergence criterion can provide a better indication of the completion of the resolution process. (C) 2003 Elsevier B.V. All rights reserved.
引用
收藏
页码:195 / 203
页数:9
相关论文
共 11 条
[1]   Two novel procedures for automatic resolution of two-way data from coupled chromatography [J].
Gan, F ;
Xu, QS ;
Liang, YZ .
ANALYST, 2001, 126 (02) :161-168
[2]  
Gan F, 2000, CHINESE J ANAL CHEM, V28, P833
[3]   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
[4]   SELF MODELING CURVE RESOLUTION [J].
LAWTON, WH ;
SYLVESTRE, EA .
TECHNOMETRICS, 1971, 13 (03) :617-+
[5]   HEURISTIC EVOLVING LATENT PROJECTIONS - RESOLVING 2-WAY MULTICOMPONENT DATA .2. DETECTION AND RESOLUTION OF MINOR CONSTITUENTS [J].
LIANG, YZ ;
KVALHEIM, OM ;
KELLER, HR ;
MASSART, DL ;
KIECHLE, P ;
ERNI, F .
ANALYTICAL CHEMISTRY, 1992, 64 (08) :946-953
[7]   Subwindow factor analysis [J].
Manne, R ;
Shen, HL ;
Liang, YZ .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1999, 45 (1-2) :171-176
[8]   The multilinear engine -: A table-driven, least squares program for solving multilinear problems, including the n-way parallel factor analysis model [J].
Paatero, P .
JOURNAL OF COMPUTATIONAL AND GRAPHICAL STATISTICS, 1999, 8 (04) :854-888
[9]  
Sanchez FC, 1997, CHEMOMETR INTELL LAB, V36, P153
[10]   3-COMPONENT CURVE RESOLUTION IN LIQUID-CHROMATOGRAPHY WITH MULTIWAVELENGTH DIODE-ARRAY DETECTION [J].
VANDEGINSTE, B ;
ESSERS, R ;
BOSMAN, T ;
REIJNEN, J ;
KATEMAN, G .
ANALYTICAL CHEMISTRY, 1985, 57 (06) :971-985