Crystallographic Information Framework

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Index

Protein Data Bank exchange dictionary (pdbx) version 1.0521

Category PDBX_REFINE

Name:
'pdbx_refine'

Description:

   Data items in the PDBX_REFINE category record details about 
   additional structure refinement parameters which are needed 
   to complete legacy REMARK 3 refinement templates in PDB 
   format files.

Example:

Example 1 - PDB placeholders for refinement program SHELX 
 
    _pdbx_refine.entry_id                                 ABC001
    _pdbx_refine.R_factor_all_4sig_cutoff                  0.174
    _pdbx_refine.R_factor_obs_4sig_cutoff                  0.169
    _pdbx_refine.number_reflns_obs_4sig_cutoff              1263
    _pdbx_refine.free_R_factor_4sig_cutoff                 0.216
    _pdbx_refine.free_R_val_test_set_ct_4sig_cutoff          164
    _pdbx_refine.free_R_val_test_set_size_perc_4sig_cutoff  1.29


Category groups:
    inclusive_group
    refine_group
    pdbx_group
Category key:
    _pdbx_refine.entry_id

Mandatory category: no


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.