This chapter introduces the crystal structure refinement program SHELXL, a program written and maintained by George M. Sheldrick. SHELXL is by far the most popular refinement program for small molecules and, together with CNS by Axel Brünger and Refmac by Garib Murshudov, it is one of the three most commonly used programs for the refinement of protein structures. The chapter describes the basic program organization of SHELXL as well as the input and output file structure. It also explains the concept of the connectivity table.
Oxford Scholarship Online requires a subscription or purchase to access the full text of books within the service. Public users can however freely search the site and view the abstracts and keywords for each book and chapter.
If you think you should have access to this title, please contact your librarian.