RSstitcher -- Merging 2D diffraction frames for Wide Range Reciprocal Space Maps with absorption correction and integration functions

Abstract

Wide Range Reciprocal Space Mapping (WRRSM) is a technique that allows visualisation of the geometric relationships among multiple hkl spots in a whole reciprocal space map. However, commercial softwares for WRRSMs generation are associated with several issues or limitations, which are overcome by the currently reporting open-source python program RSstitcher (Reciprocal Space Stitcher). RSstitcher merges 2D scan frames formats supported by FabIO and enables WRRSM function on most laboratory X-ray diffractometers equipped with a goniometer cradle and a 2D detector of any sensor size. It is so far the only WRRSMs generation tool that applies diffraction intensity correction due to sample self-absorption, which enables quantitative analyses for WRRSMs including texture measurement and 1D data integration. The conversion equations used in the python program is explained geometrically, including novel WRRSM measurements in ω-ϕ compensated Side Inclination Grazing Incident Diffraction mode for thin film samples. The applications of RSstitcher for bulk and thin film samples are demonstrated using two common 2D X-ray diffraction systems.

31 pages, 12 figures. Submitted to the Journal of Applied Crystallography for consideration