【摘要】 ShelXle是一款用于小分子晶体结构精修的专业性可视化软件，在高校群体中拥有相当数量的用户，但目前国内外有关该软件使用研究的文献报道非常少，导致众多师生在精修过程中碰到问题时不知道如何进行应对。本文详细介绍了ShelXle的开发背景、基本功能、特色功能及操作方法，结合若干案例，通过与其他软件对比，分析了ShelXle在小分子晶体结构精修中所具备的技术优势，并就如何利用ShelXle提升精修效果提出了一些参考性建议。更多还原

【Abstract】 Being the professional visual software for the refinement of small molecular crystal structure, ShelXle has a large number of users among college groups. Due to the lack of literature reports on the using and research of ShelXle at home and abroad nowadays, many teachers and students were puzzled on how to deal with the problems encountered in the process of refinement using ShelXle. In this paper, the development backgrounds, the basic and special functions and the using method of ShelXle are presented in detail. Combined with several cases and compared with other visual software, its technical superiorities in the refinement of small molecular crystal structures were analyzed, and some suggestions about enhancing its refinement effect were also illustrated.更多还原