Translation Function for Molecule A Using the PC-refined Model

Using the structure corresponding to the highest peak after $PC$-refinement, a translation search can be carried out. Because of the low symmetry of the space group in the case of the 26-10 crystal, the search can be restricted to the $x,z$ dimensions.

translation1.inp

The translation function clearly identifies a solution that is 9 $\sigma$ above the next peak. The “matrix.math" script file (see Section 19.4) was used to produce the plot shown in Fig. 19.4.

Figure 19.4: Translation function.