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An efficient algorithm for calculating whole-profile functions in crystal structure solution from powder diffraction data
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Habershon, Scott, Cheung, E. Y., Harris, K. D. M. and Johnston, R. L. (2004) An efficient algorithm for calculating whole-profile functions in crystal structure solution from powder diffraction data. Chemical Physics Letters, Vol. 390 (No. 4-6). pp. 394-398. doi:10.1016/j.cplett.2004.04.031 ISSN 1873-4448.
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Official URL: http://dx.doi.org/10.1016/j.cplett.2004.04.031
Abstract
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.
Item Type: | Journal Article | ||||
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | ||||
Journal or Publication Title: | Chemical Physics Letters | ||||
Publisher: | Elsevier BV | ||||
ISSN: | 1873-4448 | ||||
Official Date: | June 2004 | ||||
Dates: |
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Volume: | Vol. 390 | ||||
Number: | No. 4-6 | ||||
Page Range: | pp. 394-398 | ||||
DOI: | 10.1016/j.cplett.2004.04.031 | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Access rights to Published version: | Restricted or Subscription Access |
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