SUNBIM 4.0 software: new developments in small- and wide-angle X-ray scattering data analysis for scanning mode and grazing-incidence geometry.

SUNBIM (supramolecular and submolecular nano- and biomaterials X-ray imaging) is a computer suite of integrated programs which, through a user-friendly graphical interface, is able to perform a number of functions for (grazing-incidence) small- and wide-angle X-ray scattering [(GI)SAXS and (GI)WAXS] data analysis. The software combines in the same package both originally developed algorithms and reliable methods documented in the literature. Recently, new tools have been added to the original program that are particularly devoted to data reduction. The release presented in this work, named SUNBIM 4.0, features a new interface to perform deeper data reduction for multi-scan SAXS/WAXS, including dark-current subtraction, background evaluation and subtraction, and normalization of scattering intensity against local sample thickness derived from absorption contrast maps. In SUNBIM 4.0, these functionalities have been made accessible for data sets in .edf, a data format commonly used by many next-generation X-ray detectors, thanks to a new guided procedure for converting entire multi-scan data sets into a format readable by the software. A new functionality in the single data analysis section has been implemented, consisting of a semi-automatic background subtraction from the 1D profile of the azimuthal integration, corrected for a flat-panel detector geometry, to enhance peak visibility at large scattering angles (WAXS/GIWAXS). This new SUNBIM release will include a Microsoft Windows installer, as in the previous version, and will also be available for Mac OSX. We are confident that the new features will enable a more accurate and comprehensive analysis of (GI)SAXS/(GI)WAXS data, addressing the issues and limitations of the previous release while also enhancing the extraction of structural information contained within the data.