MCR-BANDS: A user friendly MATLAB program for the evaluation of rotation ambiguities in Multivariate Curve Resolution
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...
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| Vydané v: | Chemometrics and intelligent laboratory systems Ročník 103; číslo 2; s. 96 - 107 |
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| Hlavní autori: | , |
| Médium: | Journal Article |
| Jazyk: | English |
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Elsevier B.V
01.10.2010
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| ISSN: | 0169-7439, 1873-3239 |
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| 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. |
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| AbstractList | 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. |
| Author | Jaumot, Joaquim Tauler, Romà |
| Author_xml | – sequence: 1 givenname: Joaquim surname: Jaumot fullname: Jaumot, Joaquim email: joaquim@apolo.qui.ub.es organization: Department of Analytical Chemistry, University of Barcelona, Diagonal 647, Barcelona 08028, Spain – sequence: 2 givenname: Romà surname: Tauler fullname: Tauler, Romà email: Roma.Tauler@idaea.csic.es organization: Department of Environmental Chemistry, IDAEA-CSIC, Jordi Girona 16-20, Barcelona 08034, Spain |
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