Journal article
CRYSTALS enhancements: asymmetric restraints
- Abstract:
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The traditional Waser distance restraint, the rigid-bond restraint and atomic displacement parameter (ADP) similarity restraints have an equal influence on both atoms involved in the restraint. This may be inappropriate in cases where it can reasonably be expected that the precision of the determination of the positional parameters and ADPs is not equal, e.g. towards the extremities of a librating structure or where one atom is a significantly stronger scatterer than the other. In these cases...
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- Publication status:
- Published
- Peer review status:
- Peer reviewed
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(Version of record, pdf, 289.9KB)
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- Publisher copy:
- https://dx.doi.org/10.1107/S0021889812035790
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Authors
Bibliographic Details
- Publisher:
- International Union of Crystallography Publisher's website
- Journal:
- Journal of Applied Crystallography Journal website
- Volume:
- 45
- Issue:
- 5
- Pages:
- 1057-1060
- Publication date:
- 2012-10-01
- DOI:
- ISSN:
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0021-8898
Item Description
- Language:
- English
- Keywords:
- Subjects:
- UUID:
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uuid:861c1bc5-59f3-4a7a-834c-b5ff64d966d7
- Local pid:
- ora:6552
- Deposit date:
- 2012-11-09
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- Copyright holder:
- International Union of Crystallography
- Copyright date:
- 2012
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