Title of article
MCR-BANDS: A user friendly MATLAB program for the evaluation of rotation ambiguities in Multivariate Curve Resolution
Author/Authors
Jaumot، نويسنده , , Joaquim and Tauler، نويسنده , , Romà، نويسنده ,
Issue Information
دوفصلنامه با شماره پیاپی سال 2010
Pages
12
From page
96
To page
107
Abstract
A new user friendly graphical interface and a command line MATLAB computer program for the evaluation of the extent of rotation ambiguities associated to Multivariate Curve Resolution solutions are presented. Different examples of application are shown including the simultaneous analysis of multiple data sets and the implementation of local rank and trilinearity constraints, basic tools to reduce and eliminate rotation ambiguities. The program allows for an easy check of the extent of rotation ambiguity remaining in Multivariate Curve Resolution solutions in the investigation of a particular system and it also allows for the checking of the effect of applied constraints. In this way, conditions and limitations to achieve optimal solutions in Multivariate Curve Resolution are easily assessed.
Keywords
Rotational ambiguities , Software , Boundaries of feasible MCR solutions , MCR-Bands , MCR-ALS
Journal title
Chemometrics and Intelligent Laboratory Systems
Serial Year
2010
Journal title
Chemometrics and Intelligent Laboratory Systems
Record number
1489838
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