Data collection, refinement and model quality statistics for FimP.
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aValues in parentheses indicate statistics for the highest resolution shell.bRsym = Σhkl Σi |Ii(hkl)−I(hkl)>|/Σhkl Σi Ii (hkl), where Ii(hkl) is the intensity of the ith observation of reflection hkl and is the average over of all observations of reflection hkl.cRwork = Σ | |Fobs|−| Fcalc| |/Σ | Fobs|, where Fobs and Fcalc are the observed and calculated structure factor amplitudes, respectively. Rfree is Rwork calculated using 5% of the data, randomly omitted from refinement.
a 括号内数值代表最高分辨率壳层的统计参数。b 合并可靠性因子(Rsym)= ΣhklΣi|Ii(hkl)−⟨I(hkl)⟩| / ΣhklΣiIi(hkl),其中Ii(hkl)为衍射hkl的第i次观测强度,⟨I(hkl)⟩为该衍射所有观测值的平均强度。c 工作可靠性因子(Rwork)= Σ||Fobs| − |Fcalc|| / Σ|Fobs|,其中Fobs与Fcalc分别为观测结构因子振幅与计算结构因子振幅。自由可靠性因子(Rfree)为使用随机从精修过程中剔除的5%数据计算得到的Rwork值。
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2015-12-02



