Journal
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
Volume 73, Issue -, Pages 69-76Publisher
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S2053273316016521
Keywords
figure of merit; phasing; phase refinement; direct methods
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The efficient multipurpose figure of merit MPF has been defined and characterized. It may be very helpful in phasing procedures. Indeed, it might be used for establishing the centric or acentric nature of an unknown structure, for identifying the presence of some pseudotranslational symmetry, for recognizing the correct solution in multisolution approaches and for estimating the quality of structure models as they become available during the phasing process. Thus, phase improvement or deterioration may be monitored and useless models may be discarded to save computing time. It is also shown that MPF may be applied in different phasing approaches, no matter if ab initio or non ab initio.
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