Difference between revisions of "Software"
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* '''Nika''': Conversion of 2D images into 1D for SAS. Requires commercial IgorPro software. | * '''Nika''': Conversion of 2D images into 1D for SAS. Requires commercial IgorPro software. | ||
** [http://usaxs.xray.aps.anl.gov/staff/ilavsky/nika.html Official site.] | ** [http://usaxs.xray.aps.anl.gov/staff/ilavsky/nika.html Official site.] | ||
| − | * '''Indra 2''': Reduction of USAXS data. Requires the | + | * '''Indra 2''': Reduction of USAXS data. Requires the commercial IgorPro software. Written for the 15ID instrument at [[APS]]. |
** [http://usaxs.xray.aps.anl.gov/staff/ilavsky/indra_2.html Official site.] | ** [http://usaxs.xray.aps.anl.gov/staff/ilavsky/indra_2.html Official site.] | ||
* '''DPDAK''': Open-source Python tool for analyzing large sets of SAXS data. Works on Linux and Windows. | * '''DPDAK''': Open-source Python tool for analyzing large sets of SAXS data. Works on Linux and Windows. | ||
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* '''Irena''': Multiple tools for analyzing [[SAXS]], [[SANS]], [[USAXS]], and [[USANS]] data. Allows modeling of [[diffuse scattering]], form factors, reflectivity, etc. Requires the commercial IgorPro software. | * '''Irena''': Multiple tools for analyzing [[SAXS]], [[SANS]], [[USAXS]], and [[USANS]] data. Allows modeling of [[diffuse scattering]], form factors, reflectivity, etc. Requires the commercial IgorPro software. | ||
** [http://usaxs.xray.aps.anl.gov/staff/ilavsky/irena.html Official site.] | ** [http://usaxs.xray.aps.anl.gov/staff/ilavsky/irena.html Official site.] | ||
| − | * '''Scatter''': Targeted towards analysis of transmission-mode [[SAXS]] and [[SANS]]. Allows modeling of nano- and meso- | + | * '''Scatter''': Targeted towards analysis of transmission-mode [[SAXS]] and [[SANS]]. Allows modeling of nano- and meso-structure materials (surfactants, lipids, micelles, vesicles, block-copolymers, etc.). |
** Citation: S. Förster, L. Apostol and W. Bras "[http://scripts.iucr.org/cgi-bin/paper?S0021889810008289 Scatter: software for the analysis of nano- and mesoscale small-angle scattering]", ''J. Appl. Cryst.'' 2010, 43, 639. [http://dx.doi.org/10.1107/S0021889810008289 doi: 10.1107/S0021889810008289] | ** Citation: S. Förster, L. Apostol and W. Bras "[http://scripts.iucr.org/cgi-bin/paper?S0021889810008289 Scatter: software for the analysis of nano- and mesoscale small-angle scattering]", ''J. Appl. Cryst.'' 2010, 43, 639. [http://dx.doi.org/10.1107/S0021889810008289 doi: 10.1107/S0021889810008289] | ||
** [http://www.pci.uni-bayreuth.de/rg_foerster/en/Software/index.html Official site.] | ** [http://www.pci.uni-bayreuth.de/rg_foerster/en/Software/index.html Official site.] | ||
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** Citation: R. Lazzari "[http://scripts.iucr.org/cgi-bin/paper?S0021889802006088 IsGISAXS: a program for grazing-incidence small-angle X-ray scattering analysis from supported islands]", ''J. Appl. Cryst.'' 2002, 35, 406-421. [http://dx.doi.org/10.1107/S0021889802006088 doi: 10.1107/S0021889802006088] | ** Citation: R. Lazzari "[http://scripts.iucr.org/cgi-bin/paper?S0021889802006088 IsGISAXS: a program for grazing-incidence small-angle X-ray scattering analysis from supported islands]", ''J. Appl. Cryst.'' 2002, 35, 406-421. [http://dx.doi.org/10.1107/S0021889802006088 doi: 10.1107/S0021889802006088] | ||
** [http://ln-www.insp.upmc.fr/axe4/Oxydes/IsGISAXS/isgisaxs.htm Official site.] | ** [http://ln-www.insp.upmc.fr/axe4/Oxydes/IsGISAXS/isgisaxs.htm Official site.] | ||
| − | * '''FitGISAXS''': DWBA | + | * '''FitGISAXS''': DWBA modeling. Requires commercial IgorPro software. |
** [http://www.pprime.fr/?q=fr/nanoparticules-nanostructures Official site.] | ** [http://www.pprime.fr/?q=fr/nanoparticules-nanostructures Official site.] | ||
* '''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 [http://apps.jcns.fz-juelich.de/doku/sc/start Scientific Computing Group] at [http://www.mlz-garching.de/ MLZ Garching]. | * '''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 [http://apps.jcns.fz-juelich.de/doku/sc/start Scientific Computing Group] at [http://www.mlz-garching.de/ MLZ Garching]. | ||
Revision as of 17:26, 3 June 2014
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.
Contents
Data Viewing, Reduction, and Simple Analysis
These packages provide ways to view data, and perform simple operations (linecuts, etc.).
Geared towards 2D data
- Fit2D: A well-known package for treatment and conversion 2D scattering images.
- ImageJ: A generic tool for image treatment and analysis. Can be used to open and process x-ray detector images.
- 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. Installation requires (free) GTK libraries.
- GIXSGUI: Visualization and reduction package for GISAXS. Requires the commerical Matlab software. Written by Zhang Jiang.
Geared towards 1D data
- NCNR SANS/USANS Package: Set of tools for reducing SANS and USANS data. Requires the commercial IgorPro software.
- Citation: S.R. Kline "Reduction and Analysis of SANS and USANS Data using Igor Pro", J. Appl. Cryst. 2006, 39, 6, 895. doi:10.1107/S0021889806035059
- Nika: Conversion of 2D images into 1D for SAS. Requires commercial IgorPro software.
- Indra 2: Reduction of USAXS data. Requires the commercial IgorPro software. Written for the 15ID instrument at APS.
- DPDAK: Open-source Python tool for analyzing large sets of SAXS data. Works on Linux and Windows.
Data Modeling and Fitting
These packages can predict scattering curves for various possible nano- or molecular- structures. Some of the packages allow fitting of experimental data.
SAXS
- NCNR SANS/USANS Package: Can model form factors for many common object shapes in solution. Requires the commercial IgorPro software.
- Citation: S.R. Kline "Reduction and Analysis of SANS and USANS Data using Igor Pro", J. Appl. Cryst. 2006, 39, 6, 895. doi:10.1107/S0021889806035059
- Irena: Multiple tools for analyzing SAXS, SANS, USAXS, and USANS data. Allows modeling of diffuse scattering, form factors, reflectivity, etc. Requires the commercial IgorPro software.
- Scatter: Targeted towards analysis of transmission-mode SAXS and SANS. Allows modeling of nano- and meso-structure materials (surfactants, lipids, micelles, vesicles, block-copolymers, etc.).
- Citation: S. Förster, L. Apostol and W. Bras "Scatter: software for the analysis of nano- and mesoscale small-angle scattering", J. Appl. Cryst. 2010, 43, 639. doi: 10.1107/S0021889810008289
- Official site.
- SASFit: Combined fitting of 1D scattering curves.
- ATSAS: A suite of tools for small-angle scattering data of biological macromolecules.
- Citation: P. V. Konarev, M. V. Petoukhov, V. V. Volkov and D. I. Svergun "ATSAS 2.1, a program package for small-angle scattering data analysis" J. Appl. Cryst. 2006, 39, 277. doi: 10.1107/S0021889806004699
- Citation: M. V. Petoukhov, D. Franke, A. V. Shkumatov, G. Tria, A. G. Kikhney, M. Gajda, C. Gorba, H. D. T. Mertens, P. V. Konarev and D. I. Svergun "New developments in the ATSAS program package for small-angle scattering data analysis, J. Appl. Cryst. 2012, 45, 342, doi:10.1107/S0021889812007662
- Official site.
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 site.
- FitGISAXS: DWBA modeling. Requires commercial IgorPro software.
- 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.
- 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 site.
Reflectivity
- Reflfit: NIST software for fitting neutron (or x-ray) reflectivity curves.
- 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 site.
- 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.
- GA refl: Simultaneous fitting of x-ray and neutron polarized reflectometry data.
- Simulreflec: Calculate reflectivity of magnetic multiplayer systems.
- 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)
