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This content will become publicly available on May 30, 2019

Title: PDFgetN3: Atomic Pair Distribution Functions From Neutron Powder Diffraction Data Using ad hoc Corrections

We describe PDFgetN3, a new software tool for the extraction of PDF from neutron powder diffraction intensity data. We demonstrate its use with constant wavelength neutron data measured at the new powder diffractometer PEARL at the Delft University of Technology (TU), Delft. PDFgetN3 uses an ad hoc data collection protocol similar to PDFgetX3. Here, the quality of the resulting PDFs is assessed by structure refinement and by comparison with established results from synchrotron x-ray scattering.
Authors:
ORCiD logo [1] ;  [2] ;  [3] ;  [4] ;  [5]
  1. Brookhaven National Lab. (BNL), Upton, NY (United States)
  2. Albemarle Catalysts Company BV, Amsterdam (The Netherlands)
  3. Delft Univ. of Technology, Delft (The Netherlands)
  4. Albemarle Catalysts Company BV, Amsterdam (The Netherlands); Utrecht Univ., Utrecht (The Netherlands)
  5. Columbia Univ., New York, NY (United States); Brookhaven National Lab. (BNL), Upton, NY (United States)
Publication Date:
Report Number(s):
BNL-205721-2018-JAAM
Journal ID: ISSN 1600--5767
Grant/Contract Number:
SC0012704
Type:
Accepted Manuscript
Journal Name:
Journal of Applied Crystallography
Additional Journal Information:
Journal Volume: 51; Journal Issue: 5; Journal ID: ISSN 1600--5767
Research Org:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org:
USDOE Office of Science (SC), Advanced Scientific Computing Research (SC-21)
Country of Publication:
United States
Language:
English
Subject:
97 MATHEMATICS AND COMPUTING
OSTI Identifier:
1439450