MCR-BANDS: An 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...

Descripción completa

Detalles Bibliográficos
Autores: Jaumot, Joaquim, Tauler, Romà
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2015
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/109821
Acceso en línea:http://hdl.handle.net/10261/109821
Access Level:acceso abierto
Palabra clave:Rotational ambiguities
MCR-Bands
MCR-ALS
Boundaries of feasible MCR solutions
id ES_4f2d44768dcd3cb1a68bd25b2713a4cb
oai_identifier_str oai:digital.csic.es:10261/109821
network_acronym_str ES
network_name_str España
repository_id_str
spelling MCR-BANDS: An user friendly MATLAB program for the evaluation of rotation ambiguities in Multivariate Curve ResolutionJaumot, JoaquimTauler, RomàRotational ambiguitiesMCR-BandsMCR-ALSBoundaries of feasible MCR solutionsA 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 programs 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 assessedPeer reviewedConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]201520152015info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Postprintinfo:eu-repo/semantics/acceptedVersionhttp://hdl.handle.net/10261/109821reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglésdx.doi.org/10.1016/j.chemolab.2010.05.020Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/1098212026-05-22T06:33:51Z
dc.title.none.fl_str_mv MCR-BANDS: An user friendly MATLAB program for the evaluation of rotation ambiguities in Multivariate Curve Resolution
title MCR-BANDS: An user friendly MATLAB program for the evaluation of rotation ambiguities in Multivariate Curve Resolution
spellingShingle MCR-BANDS: An user friendly MATLAB program for the evaluation of rotation ambiguities in Multivariate Curve Resolution
Jaumot, Joaquim
Rotational ambiguities
MCR-Bands
MCR-ALS
Boundaries of feasible MCR solutions
title_short MCR-BANDS: An user friendly MATLAB program for the evaluation of rotation ambiguities in Multivariate Curve Resolution
title_full MCR-BANDS: An user friendly MATLAB program for the evaluation of rotation ambiguities in Multivariate Curve Resolution
title_fullStr MCR-BANDS: An user friendly MATLAB program for the evaluation of rotation ambiguities in Multivariate Curve Resolution
title_full_unstemmed MCR-BANDS: An user friendly MATLAB program for the evaluation of rotation ambiguities in Multivariate Curve Resolution
title_sort MCR-BANDS: An user friendly MATLAB program for the evaluation of rotation ambiguities in Multivariate Curve Resolution
dc.creator.none.fl_str_mv Jaumot, Joaquim
Tauler, Romà
author Jaumot, Joaquim
author_facet Jaumot, Joaquim
Tauler, Romà
author_role author
author2 Tauler, Romà
author2_role author
dc.contributor.none.fl_str_mv Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Rotational ambiguities
MCR-Bands
MCR-ALS
Boundaries of feasible MCR solutions
topic Rotational ambiguities
MCR-Bands
MCR-ALS
Boundaries of feasible MCR solutions
description 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 programs 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
publishDate 2015
dc.date.none.fl_str_mv 2015
2015
2015
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Postprint
info:eu-repo/semantics/acceptedVersion
format article
status_str acceptedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/109821
url http://hdl.handle.net/10261/109821
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv dx.doi.org/10.1016/j.chemolab.2010.05.020
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
_version_ 1869407803043479552
score 15,812429

Similares en LA Referencia