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An efficient algorithm for calculating whole-profile functions in crystal structure solution from powder diffraction data

Habershon, Scott, Cheung, Eugene Y., Harris, Kenneth David Maclean and Johnston, Roy L. 2004. An efficient algorithm for calculating whole-profile functions in crystal structure solution from powder diffraction data. Chemical Physics Letters 390 (4-6) , pp. 394-398. 10.1016/j.cplett.2004.04.031

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Abstract

A method for calculation of the whole-profile powder diffraction R-factor Rwp, adapted specifically for use in direct-space structure solution, is shown to be faster by a factor of approximately 20 than standard methods for calculating Rwp.

Item Type: Article
Date Type: Publication
Status: Published
Schools: Chemistry
Subjects: Q Science > QD Chemistry
Publisher: Elsevier
ISSN: 0009-2614
Last Modified: 04 Jun 2017 02:55
URI: http://orca.cf.ac.uk/id/eprint/13842

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