Figure 3
The grid-search and selection process. (a) The user supplies the range of spot-finding parameters to be tested. (b) IOTA carries out spot finding, indexing, lattice model refinement and integration of the diffraction image using every possible pairwise combination of the spot-finding parameters. (c) The best result is selected in two steps: (i) the integration results are ranked by the Ewald proximal volume (see Fig. 4) and the bottom 25% are selected, then (ii) the result with the most strong reflections [I/σ(I) > 5, or a user-supplied threshold] is selected as the best integrated diffraction image. |