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  Automatic processing of rotation diffraction data from crystals of initially unknown symmetry and cell constants

Kabsch, W. (1993). Automatic processing of rotation diffraction data from crystals of initially unknown symmetry and cell constants. Journal of Applied Crystallography, 26, 795-800. doi:10.1107/S0021889893005588.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0019-A9ED-1 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-002D-24B7-D
Genre: Journal Article

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JApplCryst_26_1993_795.pdf (Any fulltext), 655KB
 
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 Creators:
Kabsch, Wolfgang1, 2, Author           
Affiliations:
1Emeritus Group Biophysics, Max Planck Institute for Medical Research, Max Planck Society, ou_1497712              
2Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society, ou_1497700              

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 Abstract: An algorithm has been developed for the automatic interpretation of a given set of observed reciprocal-lattice points. It extracts a reduced cell and assigns indices to each reflection by a graph-theoretical implementation of the local indexing method. All possible symmetries of the observed lattice compatible with the metric of the reduced cell are recognized and reported, together with the unit-cell constants and the linear index transformation relating the conventional to the reduced cell. This algorithm has been incorporated into the program XDS [Kabsch (1988). J. Appl. Cryst. 21, 916-924], which is now able to process single-crystal area-detector data without prior knowledge of the symmetry and the unit-cell constants.

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Language(s): eng - English
 Dates: 1992-12-141993-06-031993-12-01
 Publication Status: Issued
 Pages: 6
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 665110
DOI: 10.1107/S0021889893005588
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Title: Journal of Applied Crystallography
  Abbreviation : J. Appl. Cryst.
Source Genre: Journal
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Publ. Info: Oxford, England : Blackwell Publishing on behalf of the International Union of Crystallography
Pages: - Volume / Issue: 26 Sequence Number: - Start / End Page: 795 - 800 Identifier: ISSN: 0021-8898
CoNE: https://pure.mpg.de/cone/journals/resource/954925410812