Crystallographic Information Framework

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Index

Core dictionary (coreCIF) version 2.4.5

Category DIFFRN_ORIENT_REFLN

Name:
'_diffrn_orient_refln_[]'

Definition:

   Data items in the DIFFRN_ORIENT_REFLN category record details
   about the reflections that define the orientation matrix used in
   the measurement of the diffraction intensities.

Example:

Example 1 - typical output listing from an Enraf-Nonius CAD-4 diffractometer. 
 
    loop_
    _diffrn_orient_refln_index_h
    _diffrn_orient_refln_index_k
    _diffrn_orient_refln_index_l
    _diffrn_orient_refln_angle_theta
    _diffrn_orient_refln_angle_phi
    _diffrn_orient_refln_angle_omega
    _diffrn_orient_refln_angle_kappa
      -3   2   3    7.35   44.74   2.62    17.53
      -4   1   0    9.26   83.27   8.06     5.79
       0   0   6    5.85  -43.93 -25.36    86.20
       2   1   3    7.36  -57.87   6.26     5.42
       0   0  -6    5.85 -161.59  36.96   -86.79
      -3   1   0    6.74   80.28   5.87     2.60
       2   0   3    5.86  -76.86  -0.17    21.34
       0   0  12   11.78  -44.02 -19.51    86.41
       0   0 -12   11.78 -161.67  42.81   -86.61
      -5   1   0   11.75   86.24   9.16     7.44
       0   4   6   11.82  -19.82  10.45     4.19
       5   0   6   14.13  -77.28  10.17    15.34
       8   0   0   20.79  -77.08  25.30   -13.96


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.