XDSGUI: a graphical user interface for XDS, SHELX and ARCIMBOLDO

J Appl Crystallogr. 2023 Sep 5;56(Pt 5):1585-1594. doi: 10.1107/S1600576723007057. eCollection 2023 Oct 1.

Abstract

XDSGUI is a lightweight graphical user interface (GUI) for the XDS, SHELX and ARCIMBOLDO program packages that serves both novice and experienced users in obtaining optimal processing and phasing results for X-ray, neutron and electron diffraction data. The design of the program enables data processing and phasing without command line usage, and supports advanced command flows in a simple user-modifiable and user-extensible way. The GUI supplies graphical information based on the tabular log output of the programs, which is more intuitive, comprehensible and efficient than text output can be.

Keywords: ARCIMBOLDO; SHELX; X-ray diffraction; XDS; data processing; electron diffraction; graphical user interfaces; neutron diffraction; phasing.