Journal article
CRYSTALS enhancements: refinement of atoms continuously disordered along a line, on a ring or on the surface of a sphere
- Abstract:
- The program CRYSTALS [Betteridge, Carruthers, Cooper, Prout & Watkin (2003). J. Appl. Cryst. 36, 1487] has been extended to include an option for the refinement of a continuous electron density distribution lying along a line, a ring or on the surface of a sphere. These additional non-atomic electron distributions can be refined in any combination with traditional anisotropically distributed spherical atoms, including the refinement of `partial' atoms overlapping with the special electron distributions.
- Publication status:
- Published
- Peer review status:
- Peer reviewed
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- Files:
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(pdf, 450.6KB)
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- Publisher copy:
- 10.1107/S0021889804009847
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Authors
Funding
+ Engineering and Physical Sciences Research Council
More from this funder
Funding agency for:
Cooper, R
Bibliographic Details
- Publisher:
- International Union of Crystallography Publisher's website
- Journal:
- Journal of Applied Crystallography Journal website
- Volume:
- 37
- Issue:
- 4
- Pages:
- 545-550
- Publication date:
- 2004-01-01
- DOI:
- ISSN:
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0021-8898
Item Description
- Language:
- English
- Subjects:
- UUID:
-
uuid:d46ca9b2-db4a-4c18-98e1-1b49a4443991
- Local pid:
- ora:6553
- Deposit date:
- 2012-11-09
Related Items
Terms of use
- Copyright holder:
- International Union of Crystallography
- Copyright date:
- 2004
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