有机化合物X射线粉末衍射实验谱图和计算谱图的比较

Comparison of the experimental X-ray diffraction patterns with the calculated ones for organic compounds

对有机化合物的X射线衍射谱图和计算谱图之间的关系做观察和分析。得到的一些规律性认识,有助于有机化合物的物相鉴定和谱图质量的判断。

The differences and relations between the experimental X-ray diffraction patterns and the calculated ones for organic compounds were observed and analyzed. The found conclusions are helpful for phase identification and estimating the diffraction pattern qualities of organic compounds.