Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category DIFFRN_ORIENT_MATRIX

Name:
'diffrn_orient_matrix'

Description:

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

Example:

Example 1 - based on CAD-4 diffractometer data obtained for Yb(S-C5H4N)2(THF)4.
 
    _diffrn_orient_matrix.diffrn_id    set1
    _diffrn_orient_matrix.type
    ; reciprocal axis matrix, multiplies hkl vector to generate
      diffractometer xyz vector and diffractometer angles
    ;
    _diffrn_orient_matrix.UB[1][1]     -0.071479
    _diffrn_orient_matrix.UB[1][2]      0.020208
    _diffrn_orient_matrix.UB[1][3]      0.039076
    _diffrn_orient_matrix.UB[2][1]      0.035372
    _diffrn_orient_matrix.UB[2][2]      0.056209
    _diffrn_orient_matrix.UB[2][3]      0.078324
    _diffrn_orient_matrix.UB[3][1]     -0.007470
    _diffrn_orient_matrix.UB[3][2]      0.067854
    _diffrn_orient_matrix.UB[3][3]     -0.017832



Category groups:
    inclusive_group
    diffrn_group
Category key:
    _diffrn_orient_matrix.diffrn_id

Mandatory category: no