Software

A common question for new GISAXS users is: "What software can I use to analyze my data?" Unfortunately, there is no single package that will allow you to perform any possible analysis. This is in part due to the diversity of possible kinds of data analysis one might want to do on GISAXS or GIWAXS images. The following lists a variety of packages that are available.

Data Viewing, Reduction, and Simple Analysis

These packages provide ways to view data, and perform simple operations (linecuts, etc.).

• Fit2D: A well-known package for treatment and conversion 2D scattering images.
  • Official page.
  • Fit2D primer.
  • Fit2D hints page.
• ImageJ: A generic tool for image treatment and analysis. Can be used to open and process x-ray detector images.
  • Official page.
• view.gtk: A simple interface for viewing 2D data, calibrating your data into q-space, and extracting linecuts. Written by Lin Yang for the X9 beamline at NSLS.
  • [Download here.] Installation requires GTK libraries.
• DPDAK: Open-source Python tool for analyzing large sets of SAXS data. Wrosk on Linux and Windows.
  • Official site.

Data Modeling and Fitting

SAXS

• Scatter: Targetted towards analysis of transmission-mode SAXS and SANS. Allows modeling of nano- and meso-structrue materials (surfactants, lipids, micelles, vesicles, block-copolymers, etc.).
  • Official page.

GISAXS

• IsGISAXS: GISAXS analysis and simulation software. Enables prediction of 2D scattering patterns, including the effects of DWBA and its variants. Written by Rémi Lazzari.
  • Citation: R. Lazzari "IsGISAXS: a program for grazing-incidence small-angle X-ray scattering analysis from supported islands", J. Appl. Cryst. 2002, 35, 406-421. doi: 10.1107/S0021889802006088
  • Official page.
• BornAgain: Python implementation of DWBA modeling (similar to IsGISAXS, but more modern). Allows for GISANS and GISAXS simulation and fitting. Available on Linux and MacOS. Written by the Scientific Computing Group at MLZ Garching.
  • Official page.
• HipGISAXS: A high-performance (GPU and massively parallel) C++ software for simulating GISAXS data.
  • Citation: S. Chourou, A. Sarje, X.S. Li, E. Chan, A. Hexemer, "HipGISAXS: A High Performance Computing Code for Simulating Grazing Incidence X-Ray Scattering Data" Journal of Applied Crystallography 2013, 46, 6, 1781-1795. doi: 10.1107/S0021889813025843
  • Citation: A. Sarje, X.S. Li, S. Chourou, E. Chan, A. Hexemer, "Massively Parallel X-ray Scattering Simulations," in Proceedings of the International Conference on High Performance Computing, Networking, Storage and Analysis (Supercomputing, SC'12), no. 46, pp. 46:1-46:11, November 2012.
  • Official page.

Reflectivity

• Reflfit: NIST software for fitting neutron (or x-ray) reflectivity curves.
  • Official page.
• Motofit: Co-refinement of multiple contrast reflectometry data (x-ray or neutron). Written by Andrew Nelson, ANSTO, Australia.
  • Citation: Nelson, A. "Co-refinement of multiple contrast neutron / X-ray reflectivity data using MOTOFIT." Journal of Applied Crystallography 2006, 39, 273-276. doi: 10.1107/S0021889806005073
  • Official Page.
• Yanera: "Yet Another NEutron Reflectivity Analyzer", provides an open-source C++ implementation of the Parratt formalism. Written by Thad Harroun (Brock University), with contributions from Kevin Yager.
  • Official page.
• GA refl: Simultaneous fitting of x-ray and neutron polarized reflectometry data.
  • Official page.
• Simulreflec: Calculate reflectivity of magnetic multiplayer systems.
  • Official page.
• AFIT: Fitting of reflectometry data. (download)
• Parratt32: Windows GUI implementing the Parratt formalism. (link)
• Drydoc and Wetdoc: Multiple contrast data fitting. (link)
• Surface: Analysis of specular reflectivity. (link)
• Polly: Polarized neutron reflectometry. (link)
• Superfit: Specular and diffuse neutron reflectivity. (link)