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.
(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.
Original language | English |
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Pages (from-to) | 1492-1497 |
Journal | Journal of Applied Crystallography |
Volume | 51 |
DOIs | |
Publication status | Published - 25 Sept 2018 |
Keywords
- neutron diffraction
- computer programs
- pair distribution functions
- constant-wavelength neutron instruments