Crystallographic Information Framework

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Index

Core dictionary (coreCIF) version 2.4.5

Category DIFFRN_REFLNS_CLASS

Name:
'_diffrn_reflns_class_[]'

Definition:

   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'


Type: null

Category: category_overview


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.