Iterative phase retrieval in macromolecular crystal diffraction using the gradients of intensities

Bielfeldt, S.; Yefanov, O.; Mnich, M.; Chapman, H.N.

doi:10.1107/S1600576726008137

Figure 3
(a) Section of a noise-free diffraction pattern with Bragg peaks, i.e. $[I_{\rm {cryst}}({\bf q}_{hk\ell})]$ . $[{\bf q}_{hk\ell}]$ indicates the positions of the Bragg peaks and $[{\bf q}_{\rm {frac}}]$ indicates the fractional offset from the nearest Bragg peak. (b) The lattice shape transform, representing the average intensity relative to the nearest Bragg peak, i.e. $[|S^{2}({\bf q})|]$ . (c) The intensity of the finite lattice transform, i.e. $[|L_{\rm {finite}}^{2}({\bf q})|]$ . (d) Following Spence et al. (2011

), equation (5)

is rearranged to solve for the molecular intensity $[I_{\rm {mol}}({\bf q}) = {I_{\rm {cryst}}({\bf q})}/{|L_{\rm {finite}}^ {2}({\bf q})|}]$ . All intensity scales are presented on a logarithmic scale.

JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

ISSN: 1600-5767

Volume 59| Part 6| December 2026|

https://doi.org/10.1107/S1600576726008137

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