A graphical user-friendly interface for MCR-ALS: a new tool for multivariate curve resolution in MATLAB

被引：973

作者：

Jaumot, J

Gargallo, R

de Juan, A

Tauler, R

机构：

[1] CSIC, IIQAB, Dept Environm Chem, ES-08034 Barcelona, Spain

[2] Univ Barcelona, Dept Analyt Chem, E-08028 Barcelona, Spain

来源：

CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS | 2005年 / 76卷 / 01期

关键词：

MCR-ALS; curve resolution; chemometrics; graphical user interface; MATLAB;

D O I：

10.1016/j.chemolab.2004.12.007

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 graphical user-friendly interface for Multivariate Curve Resolution using Alternating Least Squares has been developed as a freely available MATLAB toolbox. Through the use of this new easy-to-use graphical interface, the selection of the type of data analysis (either individual experiments giving a single data matrix or the more powerful simultaneous analysis of several experiments using one or more techniques) and the selection of the appropriate constraints can be performed in an intuitive and easy way, with the help of the options in the graphical interface. Different examples of use of this interface are given. (c) 2004 Published by Elsevier B.V.

引用

页码：101 / 110

页数：10

共 27 条

[1] On the rank deficiency and rank augmentation of the spectral measurement matrix
Amrhein, M
Srinivasan, B
Bonvin, D
Schumacher, MM
[J]. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1996, 33 (01) : 17 - 33
[2] Multivariate resolution of coeluted peaks in hyphenated liquid chromatography -: Linear sweep voltammetry
Berbel, F
Kapoya, E
Díaz-Cruz, JM
Ariño, C
Esteban, M
Tauler, R
[J]. ELECTROANALYSIS, 2003, 15 (5-6) : 499 - 508
[3] PARAFAC. Tutorial and applications
Bro, R
[J]. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1997, 38 (02) : 149 - 171
[4] Bro R, 1998, J CHEMOMETR, V12, P223, DOI 10.1002/(SICI)1099-128X(199807/08)12:4<223::AID-CEM511>3.3.CO
[5] 2-U
[6] Bro R, 1997, J CHEMOMETR, V11, P393, DOI 10.1002/(SICI)1099-128X(199709/10)11:5<393::AID-CEM483>3.3.CO
[7] 2-C
[8] Chemometrics applied to unravel multicomponent processes and mixtures - Revisiting latest trends in multivariate resolution
de Juan, A
Tauler, R
[J]. ANALYTICA CHIMICA ACTA, 2003, 500 (1-2) : 195 - 210
[9] Comparison of three-way resolution methods for non-trilinear chemical data sets
de Juan, A
Tauler, R
[J]. JOURNAL OF CHEMOMETRICS, 2001, 15 (10) : 749 - 772
[10] Assessment of new constraints applied to the alternating least squares method
deJuan, A
VanderHeyden, Y
Tauler, R
Massart, DL
[J]. ANALYTICA CHIMICA ACTA, 1997, 346 (03) : 307 - 318

← 1 2 3 →