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Figure 1
Schematic flowchart of the modified phase-retrieval algorithm. The different stages are highlighted with different colors: the yellow segment signifies the initialization of the algorithm, involving the generation of anomalous difference amplitudes, normalization, and the construction of the initial electron density with a combination of random phases and normalized anomalous amplitudes; the blue segment encompasses reciprocal-space constraints, such as amplitude constraint, π-half phase perturbation for weak reflections and the tangent formula; the green segment represents the direct-space constraints, including the standard RAAR algorithm and positivity constraint. Several third-party programs used for data preparation, heavy-atom peak location and substructure refinement are highlighted in pink. n and N represent the number of the current iteration and the predefined maximum iteration number, respectively.

IUCrJ
Volume 11| Part 4| July 2024| Pages 587-601
ISSN: 2052-2525
https://doi.org/10.1107/S2052252524004846