Crystallographic Information Framework

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Index

Core dictionary (coreCIF) version 2.4.5

Category DIFFRN_ORIENT_MATRIX

Name:
'_diffrn_orient_matrix_[]'

Definition:

   Data items in the DIFFRN_ORIENT_MATRIX category record details
   about the orientation matrix used in the measurement of the
   diffraction intensities.

Example:

Example 1 - data set n-alkylation_C-4 of Hussain, Fleming, Norman & Chang [Acta Cryst. (1996), C52, 1010-1012]. 
 
    _diffrn_orient_matrix_UB_11           -0.04170
    _diffrn_orient_matrix_UB_12           -0.01429
    _diffrn_orient_matrix_UB_13           -0.02226
    _diffrn_orient_matrix_UB_21           -0.00380
    _diffrn_orient_matrix_UB_22           -0.05578
    _diffrn_orient_matrix_UB_23           -0.05048
    _diffrn_orient_matrix_UB_31            0.00587
    _diffrn_orient_matrix_UB_32           -0.13766
    _diffrn_orient_matrix_UB_33            0.02277

    _diffrn_orient_matrix_type 'TEXSAN convention (MSC, 1989)'


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.