Crystallographic Information Framework

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Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category DIFFRN_MEASUREMENT

Name:
'diffrn_measurement'

Description:

   Data items in the DIFFRN_MEASUREMENT category record details
   about the device used to orient and/or position the crystal
   during data measurement and the manner in which the diffraction
   data were measured.

Examples:

Example 1 - based on PDB entry 5HVP and laboratory records for the structure corresponding to PDB entry 5HVP. 
 
    _diffrn_measurement.diffrn_id          'd1'
    _diffrn_measurement.device             '3-circle camera'
    _diffrn_measurement.device_type        'Supper model x'
    _diffrn_measurement.device_details     'none'
    _diffrn_measurement.method             'omega scan'
    _diffrn_measurement.details
    ; 440 frames, 0.20 degrees, 150 sec, detector distance 12 cm,
      detector angle 22.5 degrees
    ;


Example 2 - based on data set TOZ of Willis, Beckwith & Tozer [Acta Cryst. (1991), C47, 2276-2277]. 
 
    _diffrn_measurement.diffrn_id       's1'
    _diffrn_measurement.device_type
                              'Philips PW1100/20 diffractometer'
    _diffrn_measurement.method          \q/2\q


Category groups:
    inclusive_group
    diffrn_group
Category key:
    _diffrn_measurement.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.