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Crystal Structure AnalysisPrinciples and Practice$
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William Clegg, Alexander J Blake, Jacqueline M Cole, John S O Evans, Peter Main, Simon Parsons, and David J Watkin

Print publication date: 2009

Print ISBN-13: 9780199219469

Published to Oxford Scholarship Online: September 2009

DOI: 10.1093/acprof:oso/9780199219469.001.0001

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The crystallographic information file (CIF)

The crystallographic information file (CIF)

(p.319) 20 The crystallographic information file (CIF)
Crystal Structure Analysis

Alexander Blake

Oxford University Press

The CIF is a universally recognised file format for transmission, archive, and retrieval of crystal structure results. It is based on a published and maintained specification, the basic points of which are described together with some definitions of terms, and advice on using the standard correctly and effectively. Uses of the CIF are outlined: a local archive of results, a standard format for information transfer between crystallographers, the standard method of providing full results for a journal publication, the preferred way of depositing results in databases, an input for computer programs processing structural results. Programs are available for generating, editing, checking, validating and processing CIF.

Keywords:   CIF, Crystallographic Information File, archive, publication, databases, validation

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