Analyzing Raman spectral data without separabiliy assumption

dc.contributor.authorFackeldey, Konstantin
dc.contributor.authorRöhm, Jonas
dc.contributor.authorNiknejad, Amir
dc.contributor.authorChewle, Surahit
dc.contributor.authorWeber, Marcus
dc.date.accessioned2023-04-11T07:50:18Z
dc.date.available2023-04-11T07:50:18Z
dc.date.issued2021-01-23
dc.date.updated2023-03-25T17:23:44Z
dc.description.abstractRaman spectroscopy is a well established tool for the analysis of vibration spectra, which then allow for the determination of individual substances in a chemical sample, or for their phase transitions. In the time-resolved-Raman-sprectroscopy the vibration spectra of a chemical sample are recorded sequentially over a time interval, such that conclusions for intermediate products (transients) can be drawn within a chemical process. The observed data-matrix M from a Raman spectroscopy can be regarded as a matrix product of two unknown matrices W and H, where the first is representing the contribution of the spectra and the latter represents the chemical spectra. One approach for obtaining W and H is the non-negative matrix factorization. We propose a novel approach, which does not need the commonly used separability assumption. The performance of this approach is shown on a real world chemical example.en
dc.description.sponsorshipDFG, 235221301, SFB 1114: Skalenkaskaden in komplexen Systemen
dc.identifier.eissn1572-8897
dc.identifier.issn0259-9791
dc.identifier.urihttps://depositonce.tu-berlin.de/handle/11303/18554
dc.identifier.urihttps://doi.org/10.14279/depositonce-17363
dc.language.isoen
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.subject.ddc500 Naturwissenschaften und Mathematik::510 Mathematik::510 Mathematik
dc.subject.othernon-negative matrix factorizationen
dc.subject.otherNMFen
dc.subject.otherRaman spectraen
dc.subject.otherseparability conditionen
dc.subject.otherPCCA+en
dc.titleAnalyzing Raman spectral data without separabiliy assumptionen
dc.typeArticle
dc.type.versionpublishedVersion
dcterms.bibliographicCitation.doi10.1007/s10910-020-01201-7
dcterms.bibliographicCitation.issue3
dcterms.bibliographicCitation.journaltitleJournal of Mathematical Chemistry
dcterms.bibliographicCitation.originalpublishernameSpringer Nature
dcterms.bibliographicCitation.originalpublisherplaceHeidelberg
dcterms.bibliographicCitation.pageend596
dcterms.bibliographicCitation.pagestart575
dcterms.bibliographicCitation.volume59
dcterms.rightsHolder.referenceCreative-Commons-Lizenz
tub.accessrights.dnbfree
tub.affiliationFak. 2 Mathematik und Naturwissenschaften::Inst. Mathematik::FG Modellierung, Simulation und Optimierung in Natur- und Ingenieurwissenschaften
tub.publisher.universityorinstitutionTechnische Universität Berlin

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