Crystallographic Information Framework

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Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category DIFFRN_REFLNS_CLASS

Name:
'diffrn_reflns_class'

Description:

   Data items in the DIFFRN_REFLNS_CLASS category record details
   about the classes of reflections measured in the diffraction
   experiment.

Example:

Example 1 - example corresponding to the one-dimensional incommensurately modulated structure of K~2~SeO~4~. Each reflection class is defined by the number m=sum|m~i~|, where the m~i~ are the integer coefficients that, in addition to h,k,l, index the corresponding diffraction vector in the basis defined for the reciprocal lattice. 
 
    loop_
        _diffrn_reflns_class.number
        _diffrn_reflns_class.d_res_high
        _diffrn_reflns_class.d_res_low
        _diffrn_reflns_class.av_R_eq
        _diffrn_reflns_class.code
        _diffrn_reflns_class.description
               1580 0.551 6.136 0.015 'Main' 'm=0; main reflections'
               1045 0.551 6.136 0.010 'Sat1' 'm=1; first-order satellites'


Category key:
    _diffrn_reflns_class.code

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.