International Tables for Crystallography (2006). Vol. G, ch. 3.2, pp. 92-116
doi: 10.1107/97809553602060000734

Chapter 3.2. Classification and use of core data

Contents

  • 3.2. Classification and use of core data  (pp. 92-116) | html | pdf | chapter contents |
    • 3.2.1. Introduction  (p. 92) | html | pdf |
    • 3.2.2. Experimental measurements  (pp. 92-98) | html | pdf |
      • 3.2.2.1. Crystal cell parameters and measurement conditions  (p. 93) | html | pdf |
      • 3.2.2.2. Data collection  (pp. 93-97) | html | pdf |
        • 3.2.2.2.1. General description  (pp. 93-94) | html | pdf |
        • 3.2.2.2.2. Apparatus and instrumentation before the crystal  (pp. 94-95) | html | pdf |
        • 3.2.2.2.3. Apparatus and instrumentation at the crystal  (p. 95) | html | pdf |
        • 3.2.2.2.4. Apparatus and instrumentation after the crystal  (p. 95) | html | pdf |
        • 3.2.2.2.5. Intensity measurements  (pp. 95-97) | html | pdf |
      • 3.2.2.3. Experimental measurements on the crystal  (pp. 97-98) | html | pdf |
    • 3.2.3. Analysis  (pp. 98-102) | html | pdf |
      • 3.2.3.1. Structure refinement  (pp. 98-100) | html | pdf |
      • 3.2.3.2. Reflection measurements  (pp. 100-102) | html | pdf |
        • 3.2.3.2.1. Individual reflections  (pp. 100-101) | html | pdf |
        • 3.2.3.2.2. Groups of reflections  (pp. 101-102) | html | pdf |
    • 3.2.4. Atomicity, chemistry and structure  (pp. 102-112) | html | pdf |
      • 3.2.4.1. Atom sites  (pp. 102-106) | html | pdf |
        • 3.2.4.1.1. Individual atom sites  (pp. 102-105) | html | pdf |
        • 3.2.4.1.2. Collections of atom sites  (pp. 105-106) | html | pdf |
        • 3.2.4.1.3. Atom types  (p. 106) | html | pdf |
      • 3.2.4.2. Chemical identification and connectivity information  (pp. 106-108) | html | pdf |
        • 3.2.4.2.1. Chemical identification  (pp. 106-107) | html | pdf |
        • 3.2.4.2.2. Chemical connectivity  (pp. 107-108) | html | pdf |
      • 3.2.4.3. Molecular or packing geometry  (pp. 108-110) | html | pdf |
        • 3.2.4.3.1. Contents of the geometry-related categories  (pp. 108-110) | html | pdf |
      • 3.2.4.4. Symmetry and space-group information  (pp. 110-111) | html | pdf |
        • 3.2.4.4.1. Data items in SYMMETRY and related categories  (pp. 110-111) | html | pdf |
        • 3.2.4.4.2. Data items in SPACE_GROUP and related categories  (p. 111) | html | pdf |
      • 3.2.4.5. Bond-valence information  (pp. 111-112) | html | pdf |
    • 3.2.5. Publication  (pp. 112-114) | html | pdf |
      • 3.2.5.1. Literature citations  (p. 112) | html | pdf |
      • 3.2.5.2. Citation of software packages  (p. 113) | html | pdf |
      • 3.2.5.3. Citation of related database entries  (p. 113) | html | pdf |
      • 3.2.5.4. Journal housekeeping, citation and indexing entries  (pp. 113-114) | html | pdf |
      • 3.2.5.5. Contents of a publication  (p. 114) | html | pdf |
    • 3.2.6. File metadata  (pp. 114-116) | html | pdf |
    • Appendix 3.2.1. Category structure of the core CIF dictionary  (p. 116) | html | pdf |
    • References | html | pdf |
    • Figures
      • Fig. 3.2.2.1. Scheme of a diffraction experiment  (p. 93) | html | pdf |
    • Tables
      • Table 3.2.1.1. Category groups defined in the core CIF dictionary  (p. 92) | html | pdf |
      • Table A3.2.1.1. Categories in the core CIF dictionary  (p. 116) | html | pdf |