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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APA Style

Schroeder, L., Watkin, D., Cousson, A., Cooper, R., & Paulus, W. (2004). CRYSTALS enhancements: refinement of atoms continuously disordered along a line, on a ring or on the surface of a sphere. Journal of Applied Crystallography, 37(4), 545–550.

MLA Style

Schroeder, L., et al. “CRYSTALS Enhancements: Refinement of Atoms Continuously Disordered along a Line, on a Ring or on the Surface of a Sphere.” Journal of Applied Crystallography, vol. 37, no. 4, International Union of Crystallography, 2004, pp. 545–50.

Chicago Style

Schroeder, L, D Watkin, A Cousson, R Cooper, and W Paulus. 2004. “CRYSTALS Enhancements: Refinement of Atoms Continuously Disordered along a Line, on a Ring or on the Surface of a Sphere.” Journal of Applied Crystallography 37 (4): 545–50.
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Files:: os5010r.pdf

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Publisher copy:: 10.1107/S0021889804009847

Authors

+ Schroeder, L More by this author

Institution:: Laboratoire Leon Brillouin (CEA-CNRS), CE Saclay
Role:: Author

+ Watkin, D More by this author

Institution:: University of Oxford
Division:: MPLS
Department:: Chemistry
Sub department:: Chemistry Research Laboratory
Role:: Author

+ Cousson, A More by this author

Institution:: Laboratoire Leon Brillouin (CEA-CNRS), CE Saclay
Role:: Author

+ Cooper, R More by this author

Institution:: University of Oxford
Division:: MPLS
Department:: Chemistry
Sub department:: Chemistry Research Laboratory
Role:: Author

+ Paulus, W More by this author

Institution:: RWTH Aachen, Institut fur Kristallographie
Role:: Author

+ CEA More from this funder

Funding agency for:: Schroeder, L

+ Engineering and Physical Sciences Research Council More from this funder

Funding agency for:: Cooper, R

Publisher:: International Union of Crystallography
Journal:: Journal of Applied Crystallography More from this journal
Volume:: 37
Issue:: 4
Pages:: 545-550
Publication date:: 2004-01-01
DOI:: 10.1107/S0021889804009847
ISSN:: 0021-8898

Language:: English
Subjects:: Crystallography
UUID:: uuid:d46ca9b2-db4a-4c18-98e1-1b49a4443991
Local pid:: ora:6553
Deposit date:: 2012-11-09

Terms of use

Copyright holder:: International Union of Crystallography
Copyright date:: 2004

Licence:: Terms and Conditions of Use for Oxford University Research Archive

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