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.

Choosing your (Friedel) mates wisely: Grouping data sets to improve anomalous signal / Foos, N.; Cianci, M.; Nanao, M. H.. - In: ACTA CRYSTALLOGRAPHICA. SECTION D, STRUCTURAL BIOLOGY. - ISSN 2059-7983. - ELETTRONICO. - 75:Pt 2(2019), pp. 200-210. [10.1107/S205979831801570X]

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

Cianci M.;
2019-01-01

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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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11566/270860
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