Rearrangement of Cruickshank's formulae for the diffraction-component precision index
Rearrangement of Cruickshank's formulae for the diffraction-component precision index
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DOI：
10.1107/s0907444902003931
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发表时间：
2002-05-01
影响因子：
2.2
通讯作者：
Blow, DM
中科院分区：
文献类型：
--
作者：
Blow, DM
Cruickshank 提出的衍射分量精度指数公式 [(1999), Acta Cryst. D55, 583-601] 使用两个近似值进行简化。提出了重新排列的精度指数公式，该公式可以很容易地根据实验数据计算出来。结果表明，如果保持 R 和完整性，则精度变化为（分辨率）（5/2）。它随着（强度测量的完整性）（-5/6）而变化，并且讨论了它对溶剂原子包含的依赖性。
The formulae for the diffraction-component precision index introduced by Cruickshank [(1999), Acta Cryst. D55, 583-601] are simplified using two approximations. A rearranged formula for the precision index is presented which can readily be calculated from experimental data. It is shown that the precision varies as (resolution)(5/2) if R and completeness are maintained. It varies as (completeness of intensity measurement)(-5/6) and its dependence on the inclusion of solvent atoms is discussed.