The only motion is in the torsion angle about the rotation axis.


Assuming the rotation axis is the zaxis, the rotation matrix is defined as
The frame order matrix is
The surface normalisation factor is
The 1 degree frame order matrix with tensor rank2 is
The 2 degree frame order matrix with tensor rank4 is
where s_{σ} = sincσ_{max} and s_{2σ} = sinc(2σ_{max}). The active matrix elements which are not zero due to symmetries, in Kronecker product double indices from 0 to 8, are
The frame order matrix element simulation script from Section 16.2, page was used to compare the implementation of equations 16.13 and 16.15 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)} and Daeg^{(2)} values are shown in figure 16.1. The outofframe Daeg^{(1)} and Daeg^{(2)} values are shown in figure 16.2.
The relax user manual (PDF), created 20200826.