Crystallographic x-ray data collection and refinement statistics.

Rmerge = Σ|Ii−i>|/ΣIi where Ii is the intensity of a single reflection and i> is the mean intensity of that reflection.Rworking = Σ|Fo−Fc|/ΣFo Rfree is the R-factor calculated for the cross-validated test set of reflections.

合并R因子（Rmerge）= Σ|Ii − ⟨Ii⟩| / ΣIi，其中Ii为单个衍射点的强度，⟨Ii⟩为该衍射点的平均强度。工作R因子（Rworking）= Σ|Fo − Fc| / ΣFo；自由R因子（Rfree）为针对交叉验证衍射测试集计算得到的R因子。