International Tables for Crystallography Volume G: Definition and exchange of crystallographic data

Editors:

ISBN: 978-1-4020-3138-0 (Print) 978-1-4020-4290-4 (Online)

Table of contents (32 entries)

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  1. Historical introduction

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      Pages 2-10

      Genesis of the Crystallographic Information File

  2. Concepts and specifications

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      Pages 13-19

      Specification of the STAR File

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      Pages 20-36

      Specification of the Crystallographic Information File (CIF)

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      Pages 37-43

      Specification of the Crystallographic Binary File (CBF/imgCIF)

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      Pages 44-52

      Specification of the Molecular Information File (MIF)

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      Pages 53-60

      Specification of the core CIF dictionary definition language (DDL1)

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      Pages 61-70

      Specification of a relational dictionary definition language (DDL2)

  3. CIF data definition and classification

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      Pages 73-91

      General considerations when defining a CIF data item

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      Pages 92-116

      Classification and use of core data

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      Pages 117-130

      Classification and use of powder diffraction data

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      Pages 131-140

      Classification and use of modulated and composite structures data

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      Pages 141-143

      Classification and use of electron density data

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      Pages 144-198

      Classification and use of macromolecular data

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      Pages 199-205

      Classification and use of image data

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      Pages 206-208

      Classification and use of symmetry data

  4. Data dictionaries

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      Pages 210-257

      Core dictionary (coreCIF)

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      Pages 258-269

      Powder dictionary (pdCIF)

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      Pages 270-289

      Modulated and composite structures dictionary (msCIF)

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      Pages 290-294

      Electron density dictionary (rhoCIF)

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      Pages 295-443

      Macromolecular dictionary (mmCIF)

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