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nmfMapping: a cloud-based web application for non-negative matrix factorization of powder diffraction and pair distribution function datasets.
Thatcher, Zachary; Liu, Chia Hao; Yang, Long; McBride, Brennan C; Thinh Tran, Gia; Wustrow, Allison; Karlsen, Martin A; Neilson, James R; Ravnsbæk, Dorthe B; Billinge, Simon J L.
Afiliação
  • Thatcher Z; Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY 10027, USA.
  • Liu CH; Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY 10027, USA.
  • Yang L; Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY 10027, USA.
  • McBride BC; Department of Chemistry, Colorodo State University, Fort Collins, CO 80523-1872, USA.
  • Thinh Tran G; Department of Chemistry, Colorodo State University, Fort Collins, CO 80523-1872, USA.
  • Wustrow A; Department of Chemistry, Colorodo State University, Fort Collins, CO 80523-1872, USA.
  • Karlsen MA; Department of Chemistry, Aarhus University, Langelandsgade 140, 8000 Aarhus C, Denmark.
  • Neilson JR; Department of Chemistry, Colorodo State University, Fort Collins, CO 80523-1872, USA.
  • Ravnsbæk DB; Department of Chemistry, Aarhus University, Langelandsgade 140, 8000 Aarhus C, Denmark.
  • Billinge SJL; Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY 10027, USA.
Acta Crystallogr A Found Adv ; 78(Pt 3): 242-248, 2022 May 01.
Article em En | MEDLINE | ID: mdl-35502715
ABSTRACT
A cloud-hosted web-based software application, nmfMapping, for carrying out a non-negative matrix factorization of a set of powder diffraction or atomic pair distribution function datasets is described. This application allows structure scientists to find trends rapidly in sets of related data such as from in situ and operando diffraction experiments. The application is easy to use and does not require any programming expertise. It is available at https//pdfitc.org/.
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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article
Texto completo
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XML
PubMed Links
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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article