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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...

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Publication status:
Published
Peer review status:
Peer reviewed
Version:
Publisher's version

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Publisher copy:
10.1107/S0021889803021800

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More by this author
Institution:
University of Oxford
Department:
Mathematical,Physical & Life Sciences Division - Chemistry - Chemistry Research Laboratory
More by this author
Institution:
University of Oxford
Department:
Mathematical,Physical & Life Sciences Division - Chemistry - Chemistry Research Laboratory
More by this author
Institution:
University of Oxford
Department:
Mathematical,Physical & Life Sciences Division - Chemistry - Chemistry Research Laboratory
More by this author
Institution:
University of Oxford
Department:
Mathematical,Physical & Life Sciences Division - Chemistry - Chemistry Research Laboratory
More by this author
Institution:
University of Oxford
Department:
Mathematical,Physical & Life Sciences Division - Chemistry - Chemistry Research Laboratory
Publisher:
International Union of Crystallography Publisher's website
Journal:
Journal of Applied Crystallography Journal website
Volume:
36
Issue:
6
Pages:
1487
Publication date:
2003-12-11
DOI:
ISSN:
0021-8898
URN:
uuid:20bf3713-d879-46e2-bd40-a27cc9539e54
Local pid:
ora:6555

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