CRYSTALS enhancements: refinement of atoms continuously disordered along a line, on a ring or on the surface of a sphere
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...
| Main Authors: | , , , , |
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| Format: | Journal article |
| Language: | English |
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International Union of Crystallography
2004
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| _version_ | 1826298599884980224 |
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| author | Schroeder, L Watkin, D Cousson, A Cooper, R Paulus, W |
| author_facet | Schroeder, L Watkin, D Cousson, A Cooper, R Paulus, W |
| author_sort | Schroeder, L |
| collection | OXFORD |
| description | 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. |
| first_indexed | 2024-03-07T04:49:20Z |
| format | Journal article |
| id | oxford-uuid:d46ca9b2-db4a-4c18-98e1-1b49a4443991 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T04:49:20Z |
| publishDate | 2004 |
| publisher | International Union of Crystallography |
| record_format | dspace |
| spelling | oxford-uuid:d46ca9b2-db4a-4c18-98e1-1b49a44439912022-03-27T08:18:20ZCRYSTALS enhancements: refinement of atoms continuously disordered along a line, on a ring or on the surface of a sphereJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:d46ca9b2-db4a-4c18-98e1-1b49a4443991CrystallographyEnglishOxford University Research Archive - ValetInternational Union of Crystallography2004Schroeder, LWatkin, DCousson, ACooper, RPaulus, WThe 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. |
| spellingShingle | Crystallography Schroeder, L Watkin, D Cousson, A Cooper, R Paulus, W CRYSTALS enhancements: refinement of atoms continuously disordered along a line, on a ring or on the surface of a sphere |
| title | CRYSTALS enhancements: refinement of atoms continuously disordered along a line, on a ring or on the surface of a sphere |
| title_full | CRYSTALS enhancements: refinement of atoms continuously disordered along a line, on a ring or on the surface of a sphere |
| title_fullStr | CRYSTALS enhancements: refinement of atoms continuously disordered along a line, on a ring or on the surface of a sphere |
| title_full_unstemmed | CRYSTALS enhancements: refinement of atoms continuously disordered along a line, on a ring or on the surface of a sphere |
| title_short | CRYSTALS enhancements: refinement of atoms continuously disordered along a line, on a ring or on the surface of a sphere |
| title_sort | crystals enhancements refinement of atoms continuously disordered along a line on a ring or on the surface of a sphere |
| topic | Crystallography |
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