Principal and independent components analysis of overlapping spectra in the context of multichannel time-resolved absorption spectroscopy

The separation of overlapping absorption spectra in the context of multichannel time-resolved absorption spectroscopy and chemical kinetics is a particular case in the general problem of splitting the observed data into several linear components. Here, principal and independent components analysis a...

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Detalles Bibliográficos
Autores: Gómez Martín, Juan Carlos, Spietz, Peter, Orphal, Johannes, Burrows, John P.
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2004
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/343459
Acceso en línea:http://hdl.handle.net/10261/343459
Access Level:acceso abierto
Palabra clave:Multichannel time-resolved absorption spectroscopy
Chemistry of ozone and iodine
Overlapping molecular spectra
Principal components analysis
Independent components analysis
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spelling Principal and independent components analysis of overlapping spectra in the context of multichannel time-resolved absorption spectroscopyGómez Martín, Juan CarlosSpietz, PeterOrphal, JohannesBurrows, John P.Multichannel time-resolved absorption spectroscopyChemistry of ozone and iodineOverlapping molecular spectraPrincipal components analysisIndependent components analysisThe separation of overlapping absorption spectra in the context of multichannel time-resolved absorption spectroscopy and chemical kinetics is a particular case in the general problem of splitting the observed data into several linear components. Here, principal and independent components analysis are applied to kinetic data of iodine-ozone chemistry, which contains overlapping spectra of different absorbers. The objective of this work is to demonstrate a method which in spite of this overlap is able to extract separated time traces of such absorbers. These time traces are clearly a pre-requisite for any further accurate quantitative analysis. The statistical properties of data recordings obtained from flash photolysis of I-2 and O-3 have been studied to check if the requirements of the model are fulfilled. Results of separation in appropriate spectral windows displaying overlapped vibrational features are presented. Validation is made using prior information and conventional techniques. (C) 2003 Elsevier B.V. All rights reserved.This work was partially founded by the German Space Agency (contract 50EP9207 ‘SCHIAMACHY’ and project LVA 01/003), the European Union (contract EVK2-CT2001-00104 ‘THALOZ’) and the University and the State of Bremen.Peer reviewedElsevierGerman Centre for Air and Space TravelEuropean CommissionUniversity of Bremen202420242004info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Postprintinfo:eu-repo/semantics/acceptedVersionhttp://hdl.handle.net/10261/343459reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Ingléshttp://dx.doi.org/10.1016/j.saa.2004.01.004Noinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/3434592026-05-22T06:33:51Z
dc.title.none.fl_str_mv Principal and independent components analysis of overlapping spectra in the context of multichannel time-resolved absorption spectroscopy
title Principal and independent components analysis of overlapping spectra in the context of multichannel time-resolved absorption spectroscopy
spellingShingle Principal and independent components analysis of overlapping spectra in the context of multichannel time-resolved absorption spectroscopy
Gómez Martín, Juan Carlos
Multichannel time-resolved absorption spectroscopy
Chemistry of ozone and iodine
Overlapping molecular spectra
Principal components analysis
Independent components analysis
title_short Principal and independent components analysis of overlapping spectra in the context of multichannel time-resolved absorption spectroscopy
title_full Principal and independent components analysis of overlapping spectra in the context of multichannel time-resolved absorption spectroscopy
title_fullStr Principal and independent components analysis of overlapping spectra in the context of multichannel time-resolved absorption spectroscopy
title_full_unstemmed Principal and independent components analysis of overlapping spectra in the context of multichannel time-resolved absorption spectroscopy
title_sort Principal and independent components analysis of overlapping spectra in the context of multichannel time-resolved absorption spectroscopy
dc.creator.none.fl_str_mv Gómez Martín, Juan Carlos
Spietz, Peter
Orphal, Johannes
Burrows, John P.
author Gómez Martín, Juan Carlos
author_facet Gómez Martín, Juan Carlos
Spietz, Peter
Orphal, Johannes
Burrows, John P.
author_role author
author2 Spietz, Peter
Orphal, Johannes
Burrows, John P.
author2_role author
author
author
dc.contributor.none.fl_str_mv German Centre for Air and Space Travel
European Commission
University of Bremen
dc.subject.none.fl_str_mv Multichannel time-resolved absorption spectroscopy
Chemistry of ozone and iodine

Overlapping molecular spectra
Principal components analysis
Independent components analysis
topic Multichannel time-resolved absorption spectroscopy
Chemistry of ozone and iodine
Overlapping molecular spectra
Principal components analysis
Independent components analysis
description The separation of overlapping absorption spectra in the context of multichannel time-resolved absorption spectroscopy and chemical kinetics is a particular case in the general problem of splitting the observed data into several linear components. Here, principal and independent components analysis are applied to kinetic data of iodine-ozone chemistry, which contains overlapping spectra of different absorbers. The objective of this work is to demonstrate a method which in spite of this overlap is able to extract separated time traces of such absorbers. These time traces are clearly a pre-requisite for any further accurate quantitative analysis. The statistical properties of data recordings obtained from flash photolysis of I-2 and O-3 have been studied to check if the requirements of the model are fulfilled. Results of separation in appropriate spectral windows displaying overlapped vibrational features are presented. Validation is made using prior information and conventional techniques. (C) 2003 Elsevier B.V. All rights reserved.
publishDate 2004
dc.date.none.fl_str_mv 2004
2024
2024
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/10261/343459
url http://hdl.handle.net/10261/343459
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv http://dx.doi.org/10.1016/j.saa.2004.01.004
No
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
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
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score 15.811543

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