Specification of the Crystallographic Information File format, version 2.0

H.J. Bernstein; J.C. Bollinger; I.D. Brown; S. Gražulis; J.R. Hester; B. McMahon; Nick Spadaccini; J.D. Westbrook; S.P. Westrip

doi:10.1107/S1600576715021871

Specification of the Crystallographic Information File format, version 2.0

H.J. Bernstein, J.C. Bollinger, I.D. Brown, S. Gražulis, J.R. Hester, B. McMahon, Nick Spadaccini, J.D. Westbrook, S.P. Westrip

School of Molecular Sciences

Research output: Contribution to journal › Article

14 Citations (Scopus)

Abstract

© International Union of Crystallography 2016. Version 2.0 of the CIF format incorporates novel features implemented in STAR 2.0. Among these are an expanded character repertoire, new and more flexible forms for quoted data values, and new compound data types. The CIF 2.0 format is compared with both CIF 1.1 and STAR 2.0, and a formal syntax specification is provided.

Original language	English
Pages (from-to)	277-284
Number of pages	8
Journal	Journal of Applied Crystallography
Volume	49
Issue number	1
DOIs	https://doi.org/10.1107/S1600576715021871
Publication status	Published - 2016

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abstract = "{\textcopyright} International Union of Crystallography 2016. Version 2.0 of the CIF format incorporates novel features implemented in STAR 2.0. Among these are an expanded character repertoire, new and more flexible forms for quoted data values, and new compound data types. The CIF 2.0 format is compared with both CIF 1.1 and STAR 2.0, and a formal syntax specification is provided.",

author = "H.J. Bernstein and J.C. Bollinger and I.D. Brown and S. Gra{\v z}ulis and J.R. Hester and B. McMahon and Nick Spadaccini and J.D. Westbrook and S.P. Westrip",

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AU - Bernstein, H.J.

AU - Bollinger, J.C.

AU - Brown, I.D.

AU - Gražulis, S.

AU - Hester, J.R.

AU - McMahon, B.

AU - Spadaccini, Nick

AU - Westbrook, J.D.

AU - Westrip, S.P.

PY - 2016

Y1 - 2016

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AB - © International Union of Crystallography 2016. Version 2.0 of the CIF format incorporates novel features implemented in STAR 2.0. Among these are an expanded character repertoire, new and more flexible forms for quoted data values, and new compound data types. The CIF 2.0 format is compared with both CIF 1.1 and STAR 2.0, and a formal syntax specification is provided.

U2 - 10.1107/S1600576715021871

DO - 10.1107/S1600576715021871

M3 - Article

VL - 49

SP - 277

EP - 284

JO - Journal of Applied Crystallography

JF - Journal of Applied Crystallography

SN - 0021-8898

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