PDFgetN3 : atomic pair distribution functions from neutron powder diffraction data using  ad hoc  corrections | Zendy

Juhás Pavol | Zendy; Louwen Jaap N. | Zendy; van Eijck Lambert | Zendy; Vogt Eelco T. C. | Zendy; Billinge Simon J. L. | Zendy

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PDFgetN3 : atomic pair distribution functions from neutron powder diffraction data using ad hoc corrections

Author(s) -

Juhás Pavol,

Louwen Jaap N.,

van Eijck Lambert,

Vogt Eelco T. C.,

Billinge Simon J. L.

Publication year - 2018

Publication title -

journal of applied crystallography

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.429

H-Index - 162

ISSN - 1600-5767

DOI - 10.1107/s1600576718010002

Subject(s) - neutron diffraction , diffractometer , powder diffractometer , powder diffraction , neutron , materials science , neutron scattering , diffraction , synchrotron , data extraction , computational physics , crystallography , physics , optics , chemistry , nuclear physics , crystal structure , biochemistry , medline

PDFgetN3 , a new software tool for the extraction of pair distribution functions (PDFs) from neutron powder diffraction intensity data, is described. Its use is demonstrated with constant‐wavelength neutron data measured at the new powder diffractometer PEARL at the Delft University of Technology. PDFgetN3 uses an ad hoc data collection protocol similar to PDFgetX3 . The quality of the resulting PDFs is assessed by structure refinement and by comparison with established results from synchrotron X‐ray scattering.

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