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

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...

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Veröffentlicht in:Acta crystallographica. Section A, Foundations and advances Foundations and advances, 2022-05, Vol.78 (3), p.242-248
Hauptverfasser: 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.
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Sprache:eng
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Zusammenfassung: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/. A web application for non‐negative matrix factorization of powder X‐ray diffraction and pair distribution function datasets is presented, with examples.
ISSN:2053-2733
0108-7673
2053-2733
DOI:10.1107/S2053273322002522