Crystallographic Information Framework

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Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category DIFFRN

Name:
'diffrn'

Description:

   Data items in the DIFFRN category record details about the
   diffraction data and their measurement.

Examples:

Example 1 - based on PDB entry 5HVP and laboratory records for the structure corresponding to PDB entry 5HVP. 
 
    _diffrn.id                            'Set1'
    _diffrn.ambient_temp                   293(3)
    _diffrn.ambient_environment
    ; Mother liquor from the reservoir of the vapor diffusion
      experiment, mounted in room air
    ;
    _diffrn.crystal_support
    ; 0.7 mm glass capillary, sealed with dental wax
    ;
    _diffrn.crystal_treatment
    ; Equilibrated in rotating anode radiation enclosure for
      18 hours prior to beginning of data collection
    ;


Example 2 - based on data set TOZ of Willis, Beckwith & Tozer [(1991). Acta Cryst. C47, 2276-2277]. 
 
    _diffrn.id                            'd1'
    _diffrn.details
    ; \q scan width (1.0 + 0.14tan\q)\%, \q scan rate 1.2\% per
       min. Background counts for 5 sec on each side every scan.
    ;

    _diffrn.ambient_temp                293


Category groups:
    inclusive_group
    diffrn_group
Category key:
    _diffrn.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.