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Reading: An integrated web resource for crystallography


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An integrated web resource for crystallography


Brian McMahon

International Union of Crystallography, 5 Abbey Square, Chester CH1 2HU, UK, GB
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A recurring theme during the CODATA 2000 conference (Lake Maggiore, Italy, 15 - 19 October 2000) was the increasing convergence in data-rich branches of science between the storage and retrieval of data and the publication of conclusions drawn from the data. Web publishing technologies facilitate access to publications and data through the same interfaces and tools. For crystallography, the ability to deliver the experimental data alongside the research commentary offers tremendous advantages. A structured file format has been developed that allows not only submission of a research article accompanied by a complete supporting data set, but also automated validation of the description of the crystal structure reported in the article against the accompanying data. Such validation is an important component of the review process, and encourages better-quality publications. The adopted format is different from XML, but shares some of the properties of that markup language; and suggests the improvements in quality that might result in other subject areas from the adoption of similar methodology. The International Union of Crystallographyfully exploits the convergence of publishing and data-handling technologies in its online journals and associated Web site.
How to Cite: McMahon, B., 2006. An integrated web resource for crystallography. Data Science Journal, 1(1), pp.54–67. DOI:
Published on 05 Jan 2006.
Peer Reviewed


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