Figure 5
Comparative CPU times (in seconds) for the three refinement protocols averaged over 160 structures between 1.0 and 1.5 Å resolution and 90 structures between 2.5 and 3.5 Å resolution. Results are given for shift-field refinement alone (without the conventional refinement step), for 200 cycles of jelly-body refinement in REFMAC5 and for 20 cycles of conventional refinement in REFMAC5. The least-squares linear fit of time against unit-cell volume is shown for each method and resolution range, with scatter points shown for the low-resolution subsets. |