Choosing your (Friedel) mates wisely: grouping data sets to improve anomalous signal
Nicolas Foos1, Michele Cianci2, Max H Nanao1
1Structural Biology Group, European Synchrotron Radiation Facility, 71 Avenue des Martyrs, F-38000 Grenoble, France.
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.
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