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  Automatic indexing of rotation diffraction patterns

Kabsch, W. (1988). Automatic indexing of rotation diffraction patterns. Journal of Applied Crystallography, 21, 67-71. doi:10.1107/S0021889887009737.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0019-AE25-E Version Permalink: https://hdl.handle.net/21.11116/0000-0000-B226-C
Genre: Journal Article

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JApplCryst_21_1988_67.pdf (Any fulltext), 522KB
 
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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: A method is described which assigns indices to a set of single-crystal reflections recorded by the rotation-oscillation technique using a fixed X-ray wavelength. It is assumed that the space group and approximate unit-cell parameters are known. The unknown crystal orientation is determined directly from the observed diffraction pattern of one or several oscillation data records. A local indexing procedure is described which tolerates large initial errors in the parameters controlling the diffraction pattern. These parameters are refined subsequently, thereby satisfying the constraints imposed by the space-group symmetry.

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Language(s): eng - English
 Dates: 1987-04-291987-10-011988
 Publication Status: Issued
 Pages: 6
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1107/S0021889887009737
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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: 21 Sequence Number: - Start / End Page: 67 - 71 Identifier: ISSN: 0021-8898
CoNE: https://pure.mpg.de/cone/journals/resource/954925410812