Integration of macromolecular diffraction data
Integration of macromolecular diffraction data
复制标题
DOI：
10.1107/s090744499900846x
复制
发表时间：
1999-10-01
期刊：
影响因子：
--
通讯作者：
Leslie, AGW
中科院分区：
文献类型：
--
作者：
Leslie, AGW
衍射强度可以通过两种不同的方法来评估：求和积分和剖面拟合。基于泊松统计，导出了两种情况下强度及其标准误差的计算公式。这些方程强调了x射线背景对标准误差贡献的重要性，并给出了通过剖面拟合可以实现的改进估计。剖面拟合在允许估计饱和反射和处理不完全分辨的衍射点方面提供了额外的优点。
Diffraction intensities can be evaluated by two distinct procedures: summation integration and profile fitting. Equations are derived for evaluating the intensities and their standard errors for both cases, based on Poisson statistics. These equations highlight the importance of the contribution of the X-ray background to the standard error and give an estimate of the improvement which can be achieved by profile fitting. Profile fitting offers additional advantages in allowing estimation of saturated reflections and in dealing with incompletely resolved diffraction spots.