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Figure 4
(a) The progress of the ordinary and steered PR calculations for the diffraction pattern shown in Fig. 1(a). According to the criterion to start the steered protocol (see Section 3.6[link]), the modification using equations (2)[link] and (3)[link] was first applied at the 700th HIO cycle in a set of 280 steered PR calculations. The positions of PR maps at HIO cycles, the colored labels in the upper left corner, are indicated by red dots on the plane spanned by the PC1 and PC2 vectors from the PCA applied to maps at the 10000 HIO cycles in three sets of 280 calculations. The top row shows the results from the ordinary PR calculations. To demonstrate effects of the modification by equations (2)[link] and (3)[link], the distributions of the PR maps before (middle row) and after (bottom row) the modification are shown separately. The gray-scaled map in the background of each panel displays how frequently PR maps visited each position on the plane in the three sets of 280 calculations with the scale of the frequency at the left side of the panel. The green circle in the 700th HIO cycle indicates the area of the 840 random maps given for initiating differently and independently three sets of 280 PR calculations. (b) The frequency distributions of the similarity scores among a set of 280 PR maps obtained by each of the ordinary (top panel) and steered (middle and bottom panels) 280 calculations. The colors of the lines correspond to the colors of labels showing the number of HIO cycles in panel (a).

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 31| Part 1| January 2024| Pages 113-128
https://doi.org/10.1107/S1600577523009864
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