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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
