一种估算吸收误差的修正方法

A CALCULATION DEPENDENT ABSORPTION CORRECTION METHOD

在衍射数据收集过程中,晶体、毛细管及母液会带来较严重的吸收误差。基本上有两类校正方法:实验法及计算法。文献中所述的各种计算校正吸收方法虽较精确但过于复杂。本文试图在一些合理近似下简化计算方法,并用此法校正了一套小分子四圆衍射仪数据及一套蛋白质Rotation camera数据。

In the collection of three-dimensional diffraction data, crystal, capillary and mother liquor can bring about severe absorption effect. Foundamentally there exist two kinds of correction method: empirical method and calculation method. Various calculation dependent correction methods in references are over complicated although pricise. I try to give a simplified calculation method under reasonable approximation, and test it on a set of small molecule four-circle diffractometer data and a set of protein Rotation camera data, and proved to be valid.