Protocol using similarity score and improved shrink-wrap algorithm for better convergence of phase-retrieval calculation in X-ray diffraction imaging

Yoshida, S.; Harada, K.; Uezu, S.; Takayama, Y.; Nakasako, M.

doi:10.1107/S1600577523009864

Figure 5
Comparison on the performance of the ordinary and steered calculations for the diffraction patterns from aggregates of colloidal gold particles. (a) Diffraction pattern from an aggregate of six colloidal gold particles. The C_sym value of the pattern was 0.89. The black areas are saturated detector pixels around the beamstop and the gap regions between detector panels. (b) The cycle-dependent variations of the frequency distributions of the similarity scores among the maps from a set of 280 ordinary (upper panel) and steered (lower panel) PR calculations. The colors of the lines indicate the HIO cycles in panel (c). Regarding the steered calculation, the similarity scores were calculated for maps after the modification at each selected cycle. (c) The distribution of the PR maps during the HIO cycles indicated by colored labels in the upper left corner are illustrated as in Fig. 4

(a). Projection electron density maps averaged in the labeled regions are shown with a scale bar of 200 nm. (d)–(f) Results for a diffraction pattern from a specimen composed of two normal and one triangular-shaped colloidal gold particles, the C_sym of which was 0.84, are illustrated as in panels (a)–(c). The two diffraction patterns in our previous work (Sekiguchi et al., 2017

) were used with approval from the International Union of Crystallography.

JOURNAL OF
SYNCHROTRON
RADIATION

ISSN: 1600-5775

Volume 31| Part 1| January 2024| Pages 113-128

https://doi.org/10.1107/S1600577523009864

Open

access

Search IUCr Journals		doi		Advanced search
Author		volume	page