Choosing your (Friedel) mates wisely: grouping data sets to improve anomalous signal.

ABSTRACT: Single-wavelength anomalous diffraction (SAD) phasing from multiple crystals can be especially challenging in samples with weak anomalous signals and/or strong non-isomorphism. Here, advantage is taken of the combinatorial diversity possible in such experiments to study the relationship between merging statistics and downstream metrics of phasing signals. It is furthermore shown that a genetic algorithm (GA) can be used to optimize the grouping of data sets to enhance weak anomalous signals based on these merging statistics.

SUBMITTER: Foos N 

PROVIDER: S-EPMC6400255 | biostudies-literature | 2019 Feb

REPOSITORIES: biostudies-literature