X-ray data processing
Author(s) -
Harold R. Powell
Publication year - 2017
Publication title -
bioscience reports
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.938
H-Index - 77
eISSN - 1573-4935
pISSN - 0144-8463
DOI - 10.1042/bsr20170227
Subject(s) - detector , diffraction , software , refining (metallurgy) , field (mathematics) , scale (ratio) , x ray crystallography , data processing , physics , optics , computer science , materials science , database , mathematics , quantum mechanics , pure mathematics , metallurgy , programming language
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.
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