MPF, a multipurpose figure of merit for phasing procedures

作者：Burla Maria Cristina; Carrozzini Benedetta; Cascarano Giovanni Luca; Giacovazzo Carmelo^*; Polidori Giampiero

来源：Acta Crystallographica A-Foundation and Advances, 2017, 73(1): 69-76.

DOI：10.1107/S2053273316016521

• figure of merit
• phasing
• phase refinement
• direct methods

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.

• 出版日期2017-1
• 单位Perugia