Crystallographic Information Framework

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Index

Restraints dictionary version 1.0

Category RESTR_DISTANCE

Name:
'_restr_distance_[]'

Definition:

   This category describes restraints applied to
   distances during the final refinement.

Example:

Example 1. 
 
    loop_
    _restr_distance_atom_site_label_1
    _restr_distance_atom_site_label_2
    _restr_distance_site_symmetry_2
    _restr_distance_target
    _restr_distance_target_weight_param
    _restr_distance_diff
    _restr_distance_details
      C1   C2  1_555  1.524  0.04 -0.032 'generated by SHELX DFIX'
      C2   C3  1_555  1.340  0.04  0.051 'generated by SHELX DFIX'
      Na1  Ca1 1_555  0.0    0.0   0.0   'Na1 is constrained to occupy Ca site'
      Fe1  Ca1 1_555  0.0    0.0   0.0   ?
      Al1  Ca1 1_555  0.0    0.0   0.0   ?


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.