This software suite includes two programs. Program matSAXS can correct area detector (2-D) images and reduces it to equivalent 1-D scans, needed for most SAXS and WAXS analyses. Corrections for the subtended solid angle and possible detector tilt are included. Program SAXSLee provides data visualization, manual corrections and fitting. The manual adjustments include background subtraction, data merging, indexing diffraction peaks and form factor correction. Fitting models include polydisperse spheres with defined structure factors, polyhedral particle fitting, Guinier/Porod analysis. Computation for model fitting is highly optimized.
The matSAXS tool is designed to be integrated into 12-ID operation so that data reduction is performed as 2D images are taken via core routines written in C. Higher level visualization code and graphic user interface (GUI) is built with Matlab. This GUI allows user to display images in different coordinate such as Cartesian, polar, Q and GISAXS systems. The same interface is used for obtaining GISAXS line-cuts.
|Distribution & Impact
This software has been in operation since 2012 for users of the 12-ID-B station.There are no plans to engineer or document distribution externally.
This project has been produced using operational funding from the APS, contract DE-AC02-06CH11357.
Further optimization using GPU and/or parallel computing is being explored to accommodate the data rates allowed by 12-ID-B beamline’s in situ capability.
More sophisticated model types will be introduced as fitting options.