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

Second online edition (2026)   ISBN: 978-1-3944-4588-2   doi: 10.1107/97809553602060000119  

Edited by J. R. Hester and B. McMahon

Early view chapters

• Setting the scene
  • How to navigate this volume| html | pdf | chapter contents |
    James R. Hester and Brian McMahon
    • 1.1.1. Introduction| html | pdf |
    • 1.1.2. The general reader| html | pdf |
    • 1.1.3. The structural scientist| html | pdf |
    • 1.1.4. The software developer| html | pdf |
      • 1.1.4.1. Refinement or data processing packages| html | pdf |
      • 1.1.4.2. General utility programs| html | pdf |
      • 1.1.4.3. System developer| html | pdf |
    • 1.1.5. The database manager| html | pdf |
    • 1.1.6. The non-crystallographer| html | pdf |
    • 1.1.7. The dictionary developer| html | pdf |
    • References | html | pdf |
  • Crystallographic data in the digital era| html | pdf | chapter contents |
    James R. Hester and Brian McMahon

• Specifications
  • An overview of the Crystallographic Information Framework| html | pdf | chapter contents |
    James R. Hester and Brian McMahon
  • Specification of the Crystallographic Information Framework format (CIF format)| html | pdf | chapter contents |
    John C. Bollinger and James R. Hester
    • 2.2.1. Introduction| html | pdf |
    • 2.2.2. Data model and terminology| html | pdf |
      • 2.2.2.1. Case insensitivity| html | pdf |
    • 2.2.3. CIF syntax| html | pdf |
      • 2.2.3.1. CIF 1.1 syntax| html | pdf |
        • 2.2.3.1.1. CIF 1.1 character set| html | pdf |
        • 2.2.3.1.2. Inline text| html | pdf |
        • 2.2.3.1.3. White space and comments| html | pdf |
        • 2.2.3.1.4. Reserved character sequences| html | pdf |
        • 2.2.3.1.5. Data values| html | pdf |
        • 2.2.3.1.6. Data names| html | pdf |
        • 2.2.3.1.7. Data items| html | pdf |
        • 2.2.3.1.8. Data blocks and save frames| html | pdf |
        • 2.2.3.1.9. CIF 1.1 file| html | pdf |
        • 2.2.3.1.10. Comparison with STAR 1.0| html | pdf |
        • 2.2.3.1.11. Complete formal grammar| html | pdf |
      • 2.2.3.2. CIF 2.0 syntax| html | pdf |
        • 2.2.3.2.1. CIF 2.0 character set| html | pdf |
        • 2.2.3.2.2. White space and comments| html | pdf |
        • 2.2.3.2.3. Reserved character sequences| html | pdf |
        • 2.2.3.2.4. Simple data values| html | pdf |
        • 2.2.3.2.5. Compound data values| html | pdf |
        • 2.2.3.2.6. Data names| html | pdf |
        • 2.2.3.2.7. Data items| html | pdf |
        • 2.2.3.2.8. Data blocks and save frames| html | pdf |
        • 2.2.3.2.9. CIF 2.0 file| html | pdf |
        • 2.2.3.2.10. Comparison with STAR 2.0| html | pdf |
        • 2.2.3.2.11. Complete formal grammar| html | pdf |
      • 2.2.3.3. Differences between CIF 1.1 and CIF 2.0| html | pdf |
        • 2.2.3.3.1. Version code| html | pdf |
        • 2.2.3.3.2. Character set and encoding| html | pdf |
        • 2.2.3.3.3. White space and line termination| html | pdf |
        • 2.2.3.3.4. Identifiers| html | pdf |
        • 2.2.3.3.5. Data values| html | pdf |
    • 2.2.4. CIF semantics| html | pdf |
      • 2.2.4.1. Data names| html | pdf |
      • 2.2.4.2. Data values| html | pdf |
        • 2.2.4.2.1. Null values| html | pdf |
        • 2.2.4.2.2. Character values| html | pdf |
        • 2.2.4.2.3. Numeric values| html | pdf |
        • 2.2.4.2.4. Implicit data typing| html | pdf |
        • 2.2.4.2.5. Alternative content types| html | pdf |
      • 2.2.4.3. Order independence| html | pdf |
    • 2.2.5. Considerations for CIF exchange and archiving| html | pdf |
      • 2.2.5.1. CIF 1.1 text| html | pdf |
      • 2.2.5.2. CIF 2.0 documents| html | pdf |
    • References | html | pdf |
    • Figures
      • Fig. 2.2.2.1. A schematic view of the CIF data model| html | pdf |
      • Fig. 2.2.3.1. A simple CIF describing a small-molecule structure using syntax version 1.1 and data names from the DDLm version of the core CIF dictionary| html | pdf |
      • Fig. 2.2.3.2. A simple CIF describing a small-molecule structure using syntax version 2.0 and data names from the DDLm version of the core CIF dictionary| html | pdf |
    • Tables
      • Table 2.2.3.1. EBNF summary| html | pdf |
      • Table 2.2.3.2. Complete formal grammar for CIF 1.1| html | pdf |
      • Table 2.2.3.3. Complete formal grammar for CIF 2.0| html | pdf |
      • Table 2.2.4.1. Mapping from CIF syntax to data values| html | pdf |
  • Specification of the Crystallographic Binary Format| html | pdf | chapter contents |
    Herbert J. Bernstein and Andrew P. Hammersley
  • Data definition languages for CIF dictionaries| html | pdf | chapter contents |
    James R. Hester, Nick Spadaccini, I. David Brown, Antanas Vaitkus, Brian McMahon, John D. Westbrook, Helen M. Berman and Sydney R. Hall
  • dREL: an embedded dictionary algorithm language| html | pdf | chapter contents |
    James R. Hester and Nick Spadaccini
    • 2.5.1. Introduction| html | pdf |
    • 2.5.2. dREL concepts| html | pdf |
      • 2.5.2.1. The dREL execution context| html | pdf |
      • 2.5.2.2. Category objects| html | pdf |
      • 2.5.2.3. dREL in the DDLm context| html | pdf |
        • 2.5.2.3.1. dREL for evaluation| html | pdf |
        • 2.5.2.3.2. dREL for altering definitions| html | pdf |
        • 2.5.2.3.3. dREL in category definitions| html | pdf |
      • 2.5.2.4. Primitive data types| html | pdf |
        • 2.5.2.4.1. Type promotion| html | pdf |
        • 2.5.2.4.2. Computations with missing and null values| html | pdf |
      • 2.5.2.5. Container data types| html | pdf |
      • 2.5.2.6. Scoping| html | pdf |
      • 2.5.2.7. Errors| html | pdf |
    • 2.5.3. dREL syntax and semantics| html | pdf |
      • 2.5.3.1. Annotated grammar| html | pdf |
        • 2.5.3.1.1. Comments| html | pdf |
        • 2.5.3.1.2. White space| html | pdf |
        • 2.5.3.1.3. Delimiters| html | pdf |
        • 2.5.3.1.4. Keywords| html | pdf |
        • 2.5.3.1.5. Arithmetic operators| html | pdf |
        • 2.5.3.1.6. Logical operators| html | pdf |
        • 2.5.3.1.7. Bitwise operators| html | pdf |
        • 2.5.3.1.8. Relational operators| html | pdf |
        • 2.5.3.1.9. Assignment operators| html | pdf |
        • 2.5.3.1.10. Literals| html | pdf |
        • 2.5.3.1.11. Identifiers| html | pdf |
        • 2.5.3.1.12. Enclosures| html | pdf |
        • 2.5.3.1.13. Expressions| html | pdf |
        • 2.5.3.1.14. Operators| html | pdf |
        • 2.5.3.1.15. Statements| html | pdf |
        • 2.5.3.1.16. Compound statements| html | pdf |
      • 2.5.3.2. Built-in functions and constants| html | pdf |
    • 2.5.4. dREL for validation| html | pdf |
    • 2.5.5. Historical notes| html | pdf |
    • References | html | pdf |
    • Figures
      • Fig. 2.5.1.1. Code transformed from dREL to the Julia programming language (Bezanson et al| html | pdf |
      • Fig. 2.5.2.1. Simplifying row-access expressions when data names are related| html | pdf |
      • Fig. 2.5.2.2. Two dREL algorithms associated with the complex structure factor, taken from the core CIF dictionary| html | pdf |
      • Fig. 2.5.2.3. A category method for calculating entries in the GEOM_BOND category| html | pdf |
      • Fig. 2.5.4.1. Using dREL for validation through custom data names| html | pdf |
    • Tables
      • Table 2.5.2.1. Correspondence between DDLm and dREL primitive types| html | pdf |
      • Table 2.5.2.2. dREL container types| html | pdf |
      • Table 2.5.3.1. Built-in dREL functions| html | pdf |
  • Alternative syntaxes| html | pdf | chapter contents |
    John C. Bollinger, James R. Hester and Brian McMahon
    • 2.6.1. Introduction| html | pdf |
    • 2.6.2. Representing CIF data in JSON format| html | pdf |
      • 2.6.2.1. Overview of JSON| html | pdf |
      • 2.6.2.2. Mapping CIF data to JSON| html | pdf |
        • 2.6.2.2.1. General considerations| html | pdf |
        • 2.6.2.2.2. Mapping data values| html | pdf |
        • 2.6.2.2.3. Mapping data items and loops| html | pdf |
        • 2.6.2.2.4. Mapping high-level structure| html | pdf |
        • 2.6.2.2.5. JSON Schema| html | pdf |
        • 2.6.2.2.6. Comments and recommendations| html | pdf |
    • 2.6.3. Data interchange in structural biology| html | pdf |
      • 2.6.3.1. PDBML: an XML schema for the PDBx/mmCIF and extension dictionaries| html | pdf |
      • 2.6.3.2. mmJSON: supplying a typed data structure to web browsers| html | pdf |
      • 2.6.3.3. BinaryCIF: efficient serialization| html | pdf |
      • 2.6.3.4. Legacy and informal formats| html | pdf |
    • 2.6.4. Other database and interoperability implementations| html | pdf |
    • References | html | pdf |
    • Figures
      • Fig. 2.6.2.1. An example of the correspondence between CIF 2.0 syntax (left) and CIF-JSON (right)| html | pdf |
      • Fig. 2.6.2.2. Minimal (content-free) CIF-JSON messages| html | pdf |
      • Fig. 2.6.2.3. A JSON schema for CIF-JSON| html | pdf |
      • Fig. 2.6.3.1. The contents of the ENTITY category for PDB entry 9e6t (Horton et al| html | pdf |
      • Fig. 2.6.3.2. XML representations of a single atom-site record from structure 9e6t (Horton et al| html | pdf |
      • Fig. 2.6.3.3. mmJSON representation of ENTITY data from structure 9e6t (Horton et al| html | pdf |
      • Fig. 2.6.3.4. Organization of information within a BinaryCIF file (Sehnal et al| html | pdf |
      • Fig. 2.6.4.1. Round-trip CIF/JSON conversion illustrated by a Unix pipeline| html | pdf |
  • NeXus HDF5 format for crystallography| html | pdf | chapter contents |
    Aaron S. Brewster, Graeme Winter, Tobias S. Richter, Daniel W. Paley, Jonathan Sloan and Herbert J. Bernstein
    • 2.7.1. Introduction| html | pdf |
      • 2.7.1.1. The HDF5 file structure| html | pdf |
      • 2.7.1.2. NeXus overview| html | pdf |
      • 2.7.1.3. Flexibility, contracts and community feedback| html | pdf |
      • 2.7.1.4. The NeXus International Advisory Committee| html | pdf |
    • 2.7.2. NXmx overview| html | pdf |
      • 2.7.2.1. The data| html | pdf |
      • 2.7.2.2. Transformations| html | pdf |
      • 2.7.2.3. The detector| html | pdf |
        • 2.7.2.3.1. Single-panel detectors| html | pdf |
        • 2.7.2.3.2. Multi-panel detectors| html | pdf |
        • 2.7.2.3.3. A note on beam centres| html | pdf |
        • 2.7.2.3.4. Multiple detectors| html | pdf |
      • 2.7.2.4. The goniometer| html | pdf |
      • 2.7.2.5. The beam| html | pdf |
      • 2.7.2.6. Relationship between NeXus and imgCIF| html | pdf |
      • 2.7.2.7. The NeXus coordinate system| html | pdf |
    • 2.7.3. Available software| html | pdf |
    • 2.7.4. Concluding remarks| html | pdf |
    • A2.7.1. | html | pdf |
      • A2.7.1.1. Background| html | pdf |
      • A2.7.1.2. General mapping issues| html | pdf |
      • A2.7.1.3. Mapping from imgCIF to NeXus| html | pdf |
      • A2.7.1.4. The NeXus structure into which to map| html | pdf |
      • A2.7.1.5. Mapping from NeXus to imgCIF| html | pdf |
      • A2.7.1.6. The imgCIF to NeXus mappings| html | pdf |
    • References | html | pdf |
    • Figures
      • Fig. 2.7.2.1. The NeXus/HDF5 files specify axes in the NeXus McStas coordinate system| html | pdf |
      • Fig. 2.7.2.2. The standard coordinate frame in imgCIF/CBF aligns the axis to the principal goniometer axis, chooses the axis to point from the sample into the beam, i.e| html | pdf |

• CIF data definitions
  • Creating and expanding CIF dictionaries| html | pdf | chapter contents |
    James R. Hester and Brian McMahon
  • Classification and use of core data| html | pdf | chapter contents |
    Sydney R. Hall, Paula M. D. Fitzgerald, Brian McMahon, I. David Brown, James R. Hester, Matthew R. Rowles, Antanas Vaitkus, Andrius Merkys, John C. Bollinger and Simon P. Westrip
  • Definitions for multi-block data files| html | pdf | chapter contents |
    James R. Hester, Antanas Vaitkus and Matthew R. Rowles
  • Classification and use of restraints and constraints| html | pdf | chapter contents |
    I. David Brown
  • Classification and use of twinning data| html | pdf | chapter contents |
    Victor G. Young Jr
    • 3.5.1. Introduction| html | pdf |
    • 3.5.2. TLS and TLQS twins| html | pdf |
      • 3.5.2.1. Twin by merohedry| html | pdf |
      • 3.5.2.2. Twin by reticular merohedry| html | pdf |
      • 3.5.2.3. Twin by pseudo-merohedry| html | pdf |
      • 3.5.2.4. Twin by reticular pseudo-merohedry| html | pdf |
      • 3.5.2.5. Twin by non-merohedry| html | pdf |
    • 3.5.3. Twin dictionary design| html | pdf |
    • 3.5.4. Twin dictionary examples| html | pdf |
      • 3.5.4.1. Twin dictionary example for twinning by merohedry| html | pdf |
      • 3.5.4.2. Twin dictionary example for twin by non-merohedry| html | pdf |
    • 3.5.5. Future developments| html | pdf |
    • References | html | pdf |
    • Figures
      • Fig. 3.5.2.1. Reciprocal-lattice zones for (left) and (right) for a twin by reticular merohedry in space group | html | pdf |
      • Fig. 3.5.2.2. Simulated reciprocal-lattice zone for a pseudo-merohedral twin in space group | html | pdf |
    • Tables
      • Table 3.5.1.1. Frequency of twin-related terms in the Cambridge Structural Database| html | pdf |
  • Classification and use of powder diffraction data| html | pdf | chapter contents |
    Brian H. Toby, Matthew R. Rowles, James R. Hester and Antanas Vaitkus
  • Classification and use of modulated and composite structures data| html | pdf | chapter contents |
    Gotzon Madariaga
  • Classification and use of electron density data| html | pdf | chapter contents |
    Paul R. Mallinson and I. David Brown
  • Classification and use of magnetic data| html | pdf | chapter contents |
    Branton Campbell, J. Manuel Perez-Mato, Václav Petříček, Juan Rodriguez-Carvajal and James R. Hester
  • Classification and use of topological data| html | pdf | chapter contents |
    Vladislav A. Blatov, Davide M. Proserpio and Robert M. Hanson
  • Classification and use of macromolecular data| html | pdf | chapter contents |
    Paula M. D. Fitzgerald, John D. Westbrook, Phillip E. Bourne, Brian McMahon, Keith D. Watenpaugh, Helen M. Berman, Ezra Peisach, Kyle L. Morris, Jeffrey C. Hoch, Genji Kurisu, Sameer Velankar and Stephen K. Burley
  • Classification and use of image data| html | pdf | chapter contents |
    Herbert J. Bernstein

• The CIF ontology
  • Management and use of CIF dictionaries| html | pdf | chapter contents |
    James R. Hester and Brian McMahon
  • Core dictionary (coreCIF)| html | pdf | chapter contents |
    Sydney R. Hall, Frank H. Allen, I. David Brown, James R. Hester, Antanas Vaitkus and Matthew R. Rowles
  • Multi-block CIF dictionary| html | pdf | chapter contents |
    Matthew R. Rowles, James R. Hester and Antanas Vaitkus
  • Restraints dictionary| html | pdf | chapter contents |
    I. David Brown
  • Twinning dictionary (twinCIF)| html | pdf | chapter contents |
    Victor G. Young Jr, I. David Brown and James R. Hester
  • Powder dictionary (pdCIF)| html | pdf | chapter contents |
    Brian H. Toby, James R. Hester and Matthew R. Rowles
  • Modulated structures dictionary (msCIF)| html | pdf | chapter contents |
    Gotzon Madariaga
  • Electron density dictionary (rhoCIF)| html | pdf | chapter contents |
    Paul R. Mallinson
  • Magnetic dictionary (magCIF)| html | pdf | chapter contents |
    Branton Campbell, J. Manuel Perez-Mato, Václav Petříček, Juan Rodriguez-Carvajal and Wiesława Sikora
  • Topology dictionary (topoCIF)| html | pdf | chapter contents |
    Vladislav A. Blatov, Davide M. Proserpio and Robert M. Hanson
  • Macromolecular dictionary (mmCIF)| html | pdf | chapter contents |
    Paula M. D. Fitzgerald, John D. Westbrook, Phillip E. Bourne, Brian McMahon, Keith D. Watenpaugh and Helen M. Berman
  • Image dictionary (imgCIF)| html | pdf | chapter contents |
    Andrew P. Hammersley, Herbert J. Bernstein and John D. Westbrook
  • DDLm dictionary| html | pdf | chapter contents |
    Sydney R. Hall, Nick Spadaccini and James R. Hester
  • DDL2 dictionary| html | pdf | chapter contents |
    John D. Westbrook and Sydney R. Hall

• Software
  • General considerations in programming CIF applications| html | pdf | chapter contents |
    Herbert J. Bernstein, John C. Bollinger and Antanas Vaitkus
  • CIF application programming interface and reference implementation| html | pdf | chapter contents |
    John C. Bollinger
  • Other programming libraries and packages| html | pdf | chapter contents |
    Herbert J. Bernstein, Sydney R. Hall, Paul J. Ellis, Aaron S. Brewster, Daniel W. Paley, Andrius Merkys, Antanas Vaitkus, Saulius Gražulis, James R. Hester, Graeme Winter and Brian McMahon
  • Syntactic utilities for CIF| html | pdf | chapter contents |
    Brian McMahon
  • Semantic utilities for CIF and crystallographic packages| html | pdf | chapter contents |
    James R. Hester and Brian McMahon
  • End-user applications| html | pdf | chapter contents |
    Simon P. Westrip, Ian J. Bruno, Andrew J. Peel, Seth B. Wiggin, Daniel Kratzert and Robert M. Hanson
    • 5.6.1. Introduction| html | pdf |
    • 5.6.2. publCIF| html | pdf |
      • 5.6.2.1. Editing functionality| html | pdf |
      • 5.6.2.2. Data integrity| html | pdf |
      • 5.6.2.3. Use as a general-purpose tool| html | pdf |
      • 5.6.2.4. Implementation, development and availability| html | pdf |
    • 5.6.3. enCIFer and Mercury| html | pdf |
      • 5.6.3.1. Structure visualization| html | pdf |
      • 5.6.3.2. Editing, interpretation and chemical model building| html | pdf |
      • 5.6.3.3. Implementation and availability| html | pdf |
    • 5.6.4. FinalCIF| html | pdf |
      • 5.6.4.1. Editing of data| html | pdf |
      • 5.6.4.2. Using templates| html | pdf |
      • 5.6.4.3. Saving data| html | pdf |
      • 5.6.4.4. Validation| html | pdf |
      • 5.6.4.5. Data import| html | pdf |
      • 5.6.4.6. CIF deposition| html | pdf |
      • 5.6.4.7. Implementation| html | pdf |
    • 5.6.5. Jmol and JSmol| html | pdf |
      • 5.6.5.1. Loading CIF data| html | pdf |
      • 5.6.5.2. Working with structured CIF data and metadata| html | pdf |
      • 5.6.5.3. Working with CIF-based symmetry information| html | pdf |
      • 5.6.5.4. Modifying CIF data| html | pdf |
      • 5.6.5.5. Exporting CIF data| html | pdf |
      • 5.6.5.6. Downloading and installing Jmol and JSmol| html | pdf |
      • 5.6.5.7. Concluding remarks| html | pdf |
    • References | html | pdf |
    • Figures
      • Fig. 5.6.2.1. General view of the synchronized publCIF plain-ASCII (`raw' CIF, on the left) and formatted (`preprint', right) editing windows, along with a context-sensitive mouse menu| html | pdf |
      • Fig. 5.6.3.1. Screenshot from enCIFer| html | pdf |
      • Fig. 5.6.3.2. Screenshot of the enCIFer 3D structure visualizer showing the rendering of the structure, including packing of the unit cell and ADPs| html | pdf |
      • Fig. 5.6.3.3. Screenshot from Mercury, showing bond information, including items such as bond type and cyclicity that have been calculated based on the imported CIF data| html | pdf |
      • Fig. 5.6.3.4. The morphology of CSD entry UREAXX73, calculated using the particle informatics tool VisualHabit Morphology in Mercury| html | pdf |
      • Fig. 5.6.4.1. Main window of FinalCIF| html | pdf |
      • Fig. 5.6.4.2. checkCIF results| html | pdf |
      • Fig. 5.6.5.1. A structure loaded using LOAD =aflowlib/62.77 PACKED| html | pdf |
      • Fig. 5.6.5.2. (a) A structure loaded using LOAD =aflowlib/10.2 PACKED; DRAW SPACEGROUP ALL illustrating the mirror planes, 2-fold axes, and inversion centres of the space group | html | pdf |
      • Fig. 5.6.5.3. (a) A visualization of the symmetry operations of the layer group 22 (), indicating perpendicular 2 axes (short thin arrows, red in Jmol), a centring translation (diagonal arrow, yellow in Jmol), and intersecting axes (longer, fatter arrows, grey in Jmol)| html | pdf |

• Publishing
  • Small-molecule crystal structure publication using CIF| html | pdf | chapter contents |
    Peter R. Strickland, Michael A. Hoyland and Brian McMahon
  • Publication of biological macromolecule structures using CIF| html | pdf | chapter contents |
    Brian McMahon
  • Use of CIF in raw data publication workflows| html | pdf | chapter contents |
    Loes M. J. Kroon-Batenburg and James R. Hester

• Databases
  • Chemical crystallography databases| html | pdf | chapter contents |
    Ian J. Bruno, Clare A. Tovee, Suzanna C. Ward, Matthew P. Lightfoot, Saulius Gražulis, Stephan Rühl, Annett Steudel, Silke Rehme, Soorya N. Kabekkodu, Jon Gabirondo-Lopez, Emre S. Tasci and Gotzon Madariaga
  • Macromolecular databases| html | pdf | chapter contents |
    Ezra Peisach and Stephen K. Burley
    • 7.2.1. Introduction| html | pdf |
    • 7.2.2. Representation of macromolecular structure data| html | pdf |
      • 7.2.2.1. PDBx/mmCIF-based representation of macromolecular structure data| html | pdf |
      • 7.2.2.2. Supporting other data formats and data delivery methods| html | pdf |
      • 7.2.2.3. Extensions of the PDBx/mmCIF dictionary supporting related experimental and computational domains| html | pdf |
    • 7.2.3. PDB data-processing system overview| html | pdf |
      • 7.2.3.1. OneDep: functional description of the deposition and annotation systems| html | pdf |
      • 7.2.3.2. Generalized database support| html | pdf |
    • 7.2.4. Access| html | pdf |
    • 7.2.5. Interoperability with other resources| html | pdf |
    • References | html | pdf |
    • Figures
      • Fig. 7.2.2.1. Files at different levels of the PDBx/mmCIF architecture| html | pdf |
      • Fig. 7.2.3.1. Functional diagram of the OneDep deposition and biocuration system| html | pdf |
      • Fig. 7.2.3.2. Schematic diagram of the OneDep deposition system| html | pdf |
      • Fig. 7.2.3.3. Example of OneDep deposition data-input web page with data validation| html | pdf |
      • Fig. 7.2.3.4. Schematic diagram of database loading within the OneDep system| html | pdf |

• Historical material
  • Genesis of the Crystallographic Information File| html | pdf | chapter contents |
    Sydney R. Hall and Brian McMahon
  • Specification of the STAR File| html | pdf | chapter contents |
    Sydney R. Hall and Nick Spadaccini
    • 8.2.1. Editorial note| html | pdf |
    • 8.2.2. Introduction| html | pdf |
    • 8.2.3. Universal data language concepts| html | pdf |
      • 8.2.3.1. Data models| html | pdf |
    • 8.2.4. The syntax of the STAR File| html | pdf |
      • 8.2.4.1. Text string| html | pdf |
      • 8.2.4.2. Data name| html | pdf |
      • 8.2.4.3. Data value| html | pdf |
      • 8.2.4.4. Data item| html | pdf |
      • 8.2.4.5. Data loop list| html | pdf |
      • 8.2.4.6. Save frame| html | pdf |
      • 8.2.4.7. Data block| html | pdf |
      • 8.2.4.8. Global block| html | pdf |
      • 8.2.4.9. Data sets and scopes| html | pdf |
      • 8.2.4.10. Privileged constructs| html | pdf |
      • 8.2.4.11. Using stop_ in looped lists/data names| html | pdf |
    • 8.2.5. Referencing data| html | pdf |
    • References | html | pdf |
    • Figures
      • Fig. 8.2.4.1. Nested scopes of STAR data sets| html | pdf |
    • Tables
      • Table 8.2.4.1. Characters excluded from white-space-delimited text strings| html | pdf |
      • Table 8.2.4.2. Reserved keywords excluded from white-space-delimited text strings| html | pdf |
  • Specification of the legacy core CIF dictionary definition language (DDL1)| html | pdf | chapter contents |
    Sydney R. Hall and Anthony P. F. Cook
  • Historical software| html | pdf | chapter contents |
    Brian McMahon