The torsionless rotation matrix is defined in equation 12.77c.
The frame order matrix is
The surface normalisation factor is
The 1 degree frame order matrix with tensor rank-2 is
The 2 degree frame order matrix with tensor rank-4 consists of the following elements, using Kronecker product double indices from 0 to 8
After factorisation, the equations are
The frame order matrix element simulation script from Section 16.2, page was used to compare the implementation of equations 16.30 and 16.32 above. Frame order matrix Daeg(1) and Daeg(2) values were both simulated and calculated, both within and out of the motional eigenframe. The in-frame Daeg(1) and Daeg(2) values are shown in figure 16.9. The out-of-frame Daeg(1) and Daeg(2) values are shown in figure 16.10.
The relax user manual (PDF), created 2020-08-26.