ORA Article: "CRYSTALS version 12: software for guided crystal structure analysis" - uuid:20bf3713-d879-46e2-bd40-a27cc9539e54

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http://ora.ox.ac.uk/objects/ora:6555

Reference: Paul W. Betteridge, J. Robert Carruthers, Keith Prout et al., (2003). CRYSTALS version 12: software for guided crystal structure analysis. Journal of Applied Crystallography, 36 (6), 1487.

Citable link to this page: http://ora.ox.ac.uk/objects/uuid:20bf3713-d879-46e2-bd40-a27cc9539e54
 
Title: CRYSTALS version 12: software for guided crystal structure analysis

Abstract: The determination of small-molecule structures from single-crystal X-ray data is being carried out by researchers with little or no crys- tallographic training. At the same time, completely automatic crystal structure analysis can still only be achieved under very favourable conditions. Many of the problems that cause automatic systems to fail could be resolved with suitable chemical insight, and until this is built- in, programs continue to need human guidance. CRYSTALS version 12 contains a modern crystallographic human-interface design, and novel strategies incorporating chemical knowledge and sensible crystallographic guidance into crystal structure analysis software.


Publication status:Published
Peer Review status:Peer reviewed
Version:Publisher's version
Digital Origin:Born digital
About The Authors
institutionUniversity of Oxford
facultyMathematical,Physical & Life Sciences Division - Chemistry - Chemistry Research Laboratory
 
institutionUniversity of Oxford
facultyMathematical,Physical & Life Sciences Division - Chemistry - Chemistry Research Laboratory
 
institutionUniversity of Oxford
facultyMathematical,Physical & Life Sciences Division - Chemistry - Chemistry Research Laboratory
 
institutionUniversity of Oxford
facultyMathematical,Physical & Life Sciences Division - Chemistry - Chemistry Research Laboratory
 
Contributors
Richard I. Cooper More by this contributor
RoleMathematical,Physical & Life Sciences Division - Chemistry - Chemistry Research Laboratory
 
Bibliographic Details
Publisher: International Union of Crystallography
Host: Journal of Applied Crystallography see more from them
Volume: 36
Issue: 6
Extent: 1487
Issue Date: 2003-December
Copyright Date: 2003
Identifiers
Doi: 10.1107/S0021889803021800
Issn: 0021-8898
Urn: uuid:20bf3713-d879-46e2-bd40-a27cc9539e54
Item Description
Type: Article: post-print;
Language: en
Version: Publisher's version
Keywords:
Subjects:
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Member of collection : ora:articles
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Copyright Holder: International Union of Crystallography
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