X-ray data processing

The method of molecular structure determination by X-ray crystallography is a little over a century old. The history is described briefly, along with developments in X-ray sources and detectors. The fundamental processes involved in measuring diffraction patterns on area detectors, i.e. autoindexing...

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Bibliographic Details
Published inBioscience reports Vol. 37; no. 5
Main Author Powell, Harold R
Format Journal Article
LanguageEnglish
Published England Portland Press Ltd 31.10.2017
Subjects
Automatic Data Processing - methods
Crystallography, X-Ray - history
Crystallography, X-Ray - methods
History, 20th Century
Molecular Structure
Review
Software
software
crystallography
data processing
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Summary:The method of molecular structure determination by X-ray crystallography is a little over a century old. The history is described briefly, along with developments in X-ray sources and detectors. The fundamental processes involved in measuring diffraction patterns on area detectors, i.e. autoindexing, refining crystal and detector parameters, integrating the reflections themselves and putting the resultant measurements on to a common scale are discussed, with particular reference to the most commonly used software in the field.
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
ObjectType-Feature-3
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ObjectType-Review-1
ISSN:0144-8463
1573-4935
DOI:10.1042/BSR20170227