rmat file format

The rmat file contains the reciprocal axes matrix. The first line should contain the word RMAT and a Bravais-centering (ABCFIPR). The matrix is build by the components of the reciprocal axes (in the cartesian system) in columns with all goniostat angles set to zero.
a*x b*x c*x
a*y b*y c*y
a*z b*z c*z
A transformation matrix may follow. The first line should contain the word TMAT, the Bravais-centering (ABCFIPR), and the Point group.
The elements of the matrix are on the following line(s)
T11 T12 T13
T21 T22 T23
T31 T32 T33


  1. This definition of the RMAT file corresponds to the definition of a CAD4 orientation matrix.
  2. Users of the Nonius KappaCCD can generate this file with the program xmatrix (from a denzo x-file).
  3. The DirAx output file is already in the correct format (but always in a Primitive Bravais-centering, and without point group information). Users of the Nonius KappaCCD can add this information with the program rmatrix.


  0.09404740  0.06127740 -0.03415260
  0.07703950 -0.07504390 -0.00808750
 -0.06476710 -0.02511310 -0.05923030
TMAT P 2/m
  1.00000000  0.00000000  0.00000000
  0.00000000  0.00000000 -1.00000000
  0.00000000  1.00000000  0.00000000