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 2
Functions calculated from an isolated unit cell of a toy molecule (top row) and from an infinite crystal of the same unit cell (bottom row). The dashed boxes represent the size of the unit cell. (a, e) Electron density; (b, f) autocorrelation function; (c, g) the lowest-order Wigner–Seitz cell of the autocorrelation function (i.e. centered on the origin); (d, h) inverse Fourier transform of the intensity gradients in the horizontal direction, shown within the lowest-order Wigner–Seitz cell. The color scale of the coordinate $[\Delta{\bf r}]$ is indicated below (h).

JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

ISSN: 1600-5767

Volume 59| Part 6| December 2026|

https://doi.org/10.1107/S1600576726008137

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