METHOD OF CONDUCTING AN X-RAY DIFFRACTION-BASED CRYSTALLOGRAPHY ANALYSIS

摘要

A method of X-ray diffraction-based analysis for determining the structure of a crystal sample is provided. The method comprises conducting pre-experiment to collect a first set of diffraction images including reflections at corresponding intensities. The method also comprises conducting a main experiment to collect a second set of diffraction images, the diffraction images of the second set including the reflections with higher relative intensities than those produced during the first experiment, at least some of the diffraction images of the second set including topped reflections resulting from detector saturation. The method also includes a step of replacing intensities of the topped reflections from the second set of images with intensities obtained for the corresponding reflections from the first set of images.