



Setting the torsion angle σ to zero in the full torsiontilt rotation matrix of equation 12.74c, the matrix becomes
The frame order matrix is
The surface normalisation factor is
The 1 degree frame order matrix with tensor rank2 consists of the following elements
As the trigonometric functions of θ_{max} cannot be symbolically integrated, these components must be numerically integrated.
The 2 degree frame order matrix with tensor rank4 consists of the following elements, using Kronecker product double indices from 0 to 8
The frame order matrix element simulation script from Section 16.2, page was used to compare the implementation of equations 16.58 and 16.59 above. Frame order matrix Daeg^{(1)} and Daeg^{(2)} values were both simulated and calculated, both within and out of the motional eigenframe. The inframe Daeg^{(1)} values are shown in figure 16.19 and Daeg^{(2)} in figure 16.20. The outofframe Daeg^{(1)} values are shown in figure 16.21 and Daeg^{(2)} in figure 16.22.
The relax user manual (PDF), created 20200826.