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Category diffrn_orient_matrix

Category Description

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




Category Examples




Example 1:

    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




Key Category Items

• _diffrn_orient_matrix.diffrn_id



Items in Category diffrn_orient_matrix

Item Name	Mandatory Code
_diffrn_orient_matrix.diffrn_id	yes
_diffrn_orient_matrix.type	no
_diffrn_orient_matrix.UB[1][1]	no
_diffrn_orient_matrix.UB[1][2]	no
_diffrn_orient_matrix.UB[1][3]	no
_diffrn_orient_matrix.UB[2][1]	no
_diffrn_orient_matrix.UB[2][2]	no
_diffrn_orient_matrix.UB[2][3]	no
_diffrn_orient_matrix.UB[3][1]	no
_diffrn_orient_matrix.UB[3][2]	no
_diffrn_orient_matrix.UB[3][3]	no

 

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