%0 Journal article
%A Kratzert, Daniel
%A Holstein, Julian J.
%A Krossing, Ingo
%T DSR: enhanced modelling and refinement of disordered structures with SHELXL
%R 10.1107/S1600576715005580
%R 10.23689/fidgeo-2374
%J Journal of Applied Crystallography
%V 48
%N 3

%X One of the remaining challenges in single-crystal structure refinement is the proper description of disorder in crystal structures. This paper describes a computer program that performs semi-automatic modelling of disordered moieties in SHELXL [Sheldrick (2015). Acta Cryst. C71, 3–8.]. The new program contains a database that includes molecular fragments and their corresponding stereochemical restraints, and a placement procedure to place these fragments on the desired position in the unit cell. The program is also suitable for speeding up model building of well ordered crystal structures.
%U http://resolver.sub.uni-goettingen.de/purl?gldocs-11858/6687
%~  FID GEO-LEO e-docs