Biological Crystallography Integration of Macromolecular Diffraction Data
Biological Crystallography Integration of Macromolecular Diffraction Data
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通讯作者：
A. G. W. Leslie
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作者：
A. G. W. Leslie
衍射强度可以通过两种不同的程序进行评估：求和积分和轮廓拟合。根据泊松统计推导出用于评估两种情况的强度及其标准误差的方程。这些方程强调了 X 射线背景对标准误差的贡献的重要性，并给出了通过轮廓拟合可以实现的改进的估计。 Pro®le®tting 在允许估计饱和反射和处理不完全解析的衍射点方面提供了额外的优势。
Diffraction intensities can be evaluated by two distinct procedures: summation integration and pro®le ®tting. 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 pro®le ®tting. Pro®le ®tting offers additional advantages in allowing estimation of saturated re¯ections and in dealing with incompletely resolved diffraction spots.