Crystallographic Information Framework

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Index

Core dictionary (coreCIF) version 2.4.5

Category COMPUTING

Name:
'_computing_[]'

Definition:

   Data items in the COMPUTING category record details about the
   computer programs used in the crystal structure analysis.

Example:

Example 1 - Rodr\'iguez-Romero, Ruiz-P\'erez & Solans [Acta Cryst. (1996), C52, 1415-1417]. 
 
    _computing_data_collection       'CAD-4 (Enraf-Nonius, 1989)'
    _computing_cell_refinement       'CAD-4 (Enraf-Nonius, 1989)'
    _computing_data_reduction        'CFEO (Solans, 1978)'
    _computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
    _computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
    _computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
    _computing_publication_material  'PARST (Nardelli, 1983)'


Type: null

Category: category_overview


International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

First online edition (2006)

Edited by S. R. Hall and B. McMahon

An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.