Crystallographic Information Framework

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Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category PHASING_MIR_SHELL

Name:
'phasing_MIR_shell'

Description:

   Data items in the PHASING_MIR_SHELL category record statistics
   for an isomorphous replacement phasing experiment.broken
   down into shells of resolution.

Example:

Example 1 - based on a paper by Zanotti et al. [J. Biol. Chem. (1993), 268, 10728-10738] with addition of an arbitrary low-resolution limit. 
 
    loop_
    _phasing_MIR_shell.d_res_low
    _phasing_MIR_shell.d_res_high
    _phasing_MIR_shell.reflns
    _phasing_MIR_shell.FOM
     15.0  8.3   80  0.69
      8.3  6.4  184  0.73
      6.4  5.2  288  0.72
      5.2  4.4  406  0.65
      4.4  3.8  554  0.54
      3.8  3.4  730  0.53
      3.4  3.0  939  0.50


Category groups:
    inclusive_group
    phasing_group
Category keys:
    _phasing_MIR_shell.d_res_low
    _phasing_MIR_shell.d_res_high

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.