Fig. 5. A histogram of the frequency (blue bars) with which our CSP workflow achieves a match to the experimentally-known structures of our molecule set, grouped by the relative energy of that match compared to the CSP global minimum (0.5 kJ mol⁻¹ bins). The red dashed line relates to the secondary (right) y-axis, the proportion of known structures located successfully as a function of the relative energy at that bin and below. Note the broken x-axis; the highest-energy bin (blue hatching) encompasses all matches with relative energy greater than 10 kJ mol⁻¹.