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

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A method for calculation of the whole-profile powder diffraction R-factor R-wp, 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 R-wp. (C) 2004 Elsevier B.V. All rights reserved.


Original languageEnglish
Pages (from-to)394-398
Number of pages5
JournalChemical Physics Letters
Publication statusPublished - 1 Jun 2004