International Tables for Crystallography (2006). Vol. G, ch. 3.1, pp. 73-91
doi: 10.1107/97809553602060000733

Chapter 3.1. General considerations when defining a CIF data item

Contents

  • 3.1. General considerations when defining a CIF data item  (pp. 73-91) | html | pdf | chapter contents |
    • 3.1.1. Introduction  (pp. 73-74) | html | pdf |
      • 3.1.1.1. Authorship of data dictionaries  (p. 73) | html | pdf |
      • 3.1.1.2. Certification for community use  (p. 73) | html | pdf |
      • 3.1.1.3. DDL versions  (pp. 73-74) | html | pdf |
    • 3.1.2. Informal definition procedures  (p. 74) | html | pdf |
      • 3.1.2.1. The _[local]_ prefix  (p. 74) | html | pdf |
      • 3.1.2.2. Reserved prefixes  (p. 74) | html | pdf |
      • 3.1.2.3. Name spaces  (p. 74) | html | pdf |
    • 3.1.3. Formal definition process  (pp. 74-75) | html | pdf |
      • 3.1.3.1. Dictionary maintenance groups  (p. 75) | html | pdf |
      • 3.1.3.2. mmCIF review cycle  (p. 75) | html | pdf |
      • 3.1.3.3. New dictionaries  (p. 75) | html | pdf |
    • 3.1.4. Choice of data model  (pp. 75-76) | html | pdf |
    • 3.1.5. Constructing a DDL1 dictionary  (pp. 76-79) | html | pdf |
      • 3.1.5.1. The dictionary identification block  (p. 77) | html | pdf |
      • 3.1.5.2. Irreducible sets of data items  (p. 77) | html | pdf |
      • 3.1.5.3. Category descriptions  (p. 77) | html | pdf |
      • 3.1.5.4. Data-item definitions  (pp. 77-79) | html | pdf |
        • 3.1.5.4.1. Definitions of single quantities  (pp. 77-78) | html | pdf |
        • 3.1.5.4.2. Looped data  (p. 78) | html | pdf |
        • 3.1.5.4.3. Units  (pp. 78-79) | html | pdf |
    • 3.1.6. Constructing a DDL2 dictionary  (pp. 79-83) | html | pdf |
      • 3.1.6.1. Dictionary identification  (p. 79) | html | pdf |
      • 3.1.6.2. Subcategory definitions  (pp. 79-80) | html | pdf |
      • 3.1.6.3. Category groupings  (p. 80) | html | pdf |
      • 3.1.6.4. Category definitions  (pp. 80-81) | html | pdf |
      • 3.1.6.5. Data-item definitions  (pp. 81-83) | html | pdf |
        • 3.1.6.5.1. Inheritance of identifiers  (p. 82) | html | pdf |
        • 3.1.6.5.2. Definitions of single quantities  (p. 83) | html | pdf |
      • 3.1.6.6. Units  (p. 83) | html | pdf |
    • 3.1.7. Composing new data definitions  (pp. 83-85) | html | pdf |
      • 3.1.7.1. Granularity  (pp. 83-84) | html | pdf |
      • 3.1.7.2. Category `special details' fields  (p. 84) | html | pdf |
      • 3.1.7.3. Construction of data names  (p. 84) | html | pdf |
      • 3.1.7.4. Parsable data values versus separate data names  (pp. 84-85) | html | pdf |
      • 3.1.7.5. Consistency of abbreviations  (p. 85) | html | pdf |
    • 3.1.8. Management of multiple dictionaries  (pp. 85-88) | html | pdf |
      • 3.1.8.1. Identification of dictionaries relevant to a data file  (pp. 85-86) | html | pdf |
      • 3.1.8.2. The dictionary register  (pp. 86-87) | html | pdf |
      • 3.1.8.3. Locating a dictionary for validation  (pp. 87-88) | html | pdf |
    • 3.1.9. Composite dictionaries  (pp. 88-89) | html | pdf |
      • 3.1.9.1. A dictionary merging protocol  (pp. 88-89) | html | pdf |
      • 3.1.9.2. Protocol implementation  (p. 89) | html | pdf |
    • 3.1.10. Public CIF dictionaries  (pp. 89-91) | html | pdf |
      • 3.1.10.1. Categories and category groups  (p. 90) | html | pdf |
      • 3.1.10.2. Overview of category classification  (pp. 90-91) | html | pdf |
    • References | html | pdf |
    • Figures
      • Fig. 3.1.5.1. Schematic structure of core CIF dictionary  (p. 76) | html | pdf |
      • Fig. 3.1.6.1. Schematic structure of the macromolecular CIF dictionary  (p. 80) | html | pdf |
      • Fig. 3.1.7.1. Alternative quantities described ( a ) by data-name extension (core dictionary) or ( b ) by paired data names (mmCIF dictionary)  (p. 84) | html | pdf |
    • Tables
      • Table 3.1.2.1. Reserved prefixes for private CIF data names  (p. 74) | html | pdf |
      • Table 3.1.5.1. Units codes and their interpretation in DDL1-based dictionaries  (p. 79) | html | pdf |
      • Table 3.1.7.1. Abbreviations in CIF data names  (p. 86) | html | pdf |
      • Table 3.1.8.1. CIF dictionary register (maintained as a STAR File)  (p. 87) | html | pdf |
      • Table 3.1.10.1. High-level grouping of categories by dictionary  (p. 90) | html | pdf |