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  <doc>
    <id>7893</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>575</pageFirst>
    <pageLast>596</pageLast>
    <pageNumber/>
    <edition/>
    <issue>59</issue>
    <volume>3</volume>
    <type>article</type>
    <publisherName>Springer</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Analyzing Raman Spectral Data without Separabiliy Assumption</title>
    <abstract language="eng">Raman 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.</abstract>
    <parentTitle language="deu">Journal of Mathematical Chemistry</parentTitle>
    <identifier type="arxiv">2007.06428</identifier>
    <identifier type="doi">10.1007/s10910-020-01201-7</identifier>
    <enrichment key="PeerReviewed">yes</enrichment>
    <enrichment key="AcceptedDate">2020-11-25</enrichment>
    <author>Konstantin Fackeldey</author>
    <submitter>Marcus Weber</submitter>
    <author>Jonas Röhm</author>
    <author>Amir Niknejad</author>
    <author>Surahit Chewle</author>
    <author>Marcus Weber</author>
    <collection role="institutes" number="num">Numerical Mathematics</collection>
    <collection role="persons" number="fackeldey">Fackeldey, Konstantin</collection>
    <collection role="persons" number="weber">Weber, Marcus</collection>
    <collection role="projects" number="NonequiMSM">NonequiMSM</collection>
    <collection role="institutes" number="MfLMS">Mathematics for Life and Materials Science</collection>
    <collection role="institutes" number="MSoCP">Modeling and Simulation of Complex Processes</collection>
    <collection role="persons" number="chewle">Chewle, Surahit</collection>
  </doc>
</export-example>
