TY  - JOUR
A1  - Kratzert, Daniel
A1  - Holstein, Julian J.
A1  - Krossing, Ingo
T1  - DSR: enhanced modelling and refinement of disordered structures with SHELXL
Y1  - 2015
VL  - 48
IS  - 3
SP  - 933
EP  - 938
JF  - Journal of Applied Crystallography
DO  - 10.1107/S1600576715005580
DO  - 10.23689/fidgeo-2374
N2  - 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.
UR  - http://resolver.sub.uni-goettingen.de/purl?gldocs-11858/6687
ER  -