PDFgetN3: atomic pair distribution functions from neutron powder diffraction data using ad hoc corrections
Publication date
2018-09-25
Authors
Juhas, Pavol
Louwen, Jaap N.
van Eijck, Lambert
Vogt, Eelco
Billinge, Simon J.L.
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Document Type
Article
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Abstract
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.
Keywords
neutron diffraction, computer programs, pair distribution functions, constant-wavelength neutron instruments, Analytical Chemistry
Citation
Juhas, P, Louwen, J N, van Eijck, L, Vogt, E T C & Billinge, S J L 2018, 'PDFgetN3: atomic pair distribution functions from neutron powder diffraction data using ad hoc corrections', Journal of Applied Crystallography, vol. 51, pp. 1492-1497. https://doi.org/10.1107/S1600576718010002