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nmfMapping: a cloud-based web application for non-negative matrix factorization of powder diffraction and pair distribution function datasets

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  • Zachary Thatcher, Columbia University
  • ,
  • Chia Hao Liu, Columbia University
  • ,
  • Long Yang, Columbia University
  • ,
  • Brennan C. McBride, Colorado State University
  • ,
  • Gia Thinh Tran, Colorado State University
  • ,
  • Allison Wustrow, Colorado State University
  • ,
  • Martin A. Karlsen, Aarhus University
  • ,
  • James R. Neilson, Colorado State University
  • ,
  • Dorthe B. Ravnsbæk
  • Simon J.L. Billinge, Columbia University

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/.

Original languageEnglish
JournalActa Crystallographica Section A: Foundations and Advances
Pages (from-to)242-248
Number of pages7
Publication statusPublished - 1 May 2022

    Research areas

  • data analysis, NMF, non-negative matrix factorization, pair distribution function, PDF, web applications

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