SGTools: a suite of tools for processing and analyzing large data sets from in situ X-ray scattering experiments

Author:

Zhao Nie,Yang ChunmingORCID,Bian Fenggang,Guo Daoyou,Ouyang Xiaoping

Abstract

In situ synchrotron small-angle X-ray scattering (SAXS) is a powerful tool for studying dynamic processes during material preparation and application. The processing and analysis of large data sets generated from in situ X-ray scattering experiments are often tedious and time consuming. However, data processing software for in situ experiments is relatively rare, especially for grazing-incidence small-angle X-ray scattering (GISAXS). This article presents an open-source software suite (SGTools) to perform data processing and analysis for SAXS and GISAXS experiments. The processing modules in this software include (i) raw data calibration and background correction; (ii) data reduction by multiple methods; (iii) animation generation and intensity mapping for in situ X-ray scattering experiments; and (iv) further data analysis for the sample with an order degree and interface correlation. This article provides the main features and framework of SGTools. The workflow of the software is also elucidated to allow users to develop new features. Three examples are demonstrated to illustrate the use of SGTools for dealing with SAXS and GISAXS data. Finally, the limitations and future features of the software are also discussed.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Hunan Province

Education Department of Hunan Province

China Postdoctoral Science Foundation

Zhejiang Public Service Technology Research Program

National Key Research and Development Program of China

Science and Technology Commission of Shanghai Municipality

Publisher

International Union of Crystallography (IUCr)

Subject

General Biochemistry, Genetics and Molecular Biology

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