| layout | page |
|---|---|
| title | Software |
| permalink | /learn_about_reflectometry/analysis_software |
| author | Adrian Rennie, Andrew McCluskey, and Jos Cooper |
The following links provide information about computer programs used for the analysis of neutron reflectivity data. In some case copies of the software are made available to other users. Consult the pages for further details.
(original list from http://www.reflectometry.net, courtesy of Adrian Rennie)
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Neutron reflectometry programs available from the NIST Center for Neutron Research.
https://www.nist.gov/ncnr/data-reduction-analysis/reflectometry-software -
BornAgain is a program to simulate and fit grazing incidence small-angle scattering
http://bornagainproject.org -
refnx: Neutron and X-ray reflectometry analysis in Python by Andrew Nelson and Stuart Prescott ANSTO.
https://www.github.com/refnx/refnx -
GenX - a program that uses a genetic algorithm to refine model fits to reflectivity data writen by Matts Björck, Uppsala University.
https://aglavic.github.io/genx -
EasyReflectometry - a graphical user interface and python library to enable access to a range of calculation engines and optimisers.
https://easyreflectometry.org -
Interactive, Web-Based Calculator of Neutron and X-ray Reflectivity, provided by Brian Maranville at NIST Center for Neutron Research.
https://www.ncnr.nist.gov/instruments/magik/calculators/reflectivity-calculator.html.
There is also an extended version for magnetic samples and polarised neutrons:
https://www.ncnr.nist.gov/instruments/magik/calculators/magnetic-reflectivity-calculator.html. -
RASCAL - for analysis of multi-contrast neutron reflectometry data A. Hughes, RAL
https://github.com/arwelHughes/RasCAL_2019 -
MOTOFIT: A package that uses IGOR Pro for co-refinement of neutron and X-ray reflectivity data written by Andrew Nelson, Bragg Institute, ANSTO.
http://motofit.sourceforge.net
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Analyzer is an analysis tool from the ChemMatCARS beamline at APS. Data fitting software for the following liquid surface scattering techniques: X-ray reflectivity (XR), grazing incidence X-ray diffraction (GIXD), X-ray fluorescence near total reflection (XFNTR), and grazing incidence X-ray off-specular scattering (GIXOS). https://chemmatcars.uchicago.edu/facilities/software/
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AFIT written by Paul Thirtle (3.1) is available from Oxford.
http://physchem.ox.ac.uk/~rkt/afit.html -
Calculate neutron reflectivity on the Web. Alan Munter has provided a WWW site at the NIST Center for Neutron Research. (NOTE: requires Java applet, no longer functional in modern browsers. Source code still available here) https://www.ncnr.nist.gov/resources/reflcalc.html
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Description of Norm Berk's Programs and Papers
https://ncnr.nist.gov/staff/nfb/nxnsr.html -
Description of data reduction for CRISP at ISIS
CRISP data analysis -
SURFace - A Package for Analysis of Reflectivity Data J. R. P. Webster and S. Langridge, RAL
https://www.isis.stfc.ac.uk/Pages/Surf-data-analysis.aspx -
POLLY - for simulation and analysis of polarised neutron reflectometry data S. Langridge, RAL
https://www.isis.stfc.ac.uk/Pages/Crisp-software.aspx -
MultiFit, SuperFit and other Software for X-Ray Reflectivity and Polarised Neutron Reflectivity, K. Ritley & W. Donner, MPI f. Metallforschung, Stuttgart, Germany
http://www.is.mpg.de/8137185/fitting. Note: this site and software is no longer avaiable - an archive link is provided for information. -
Reflec95 (for W95/NT) and ReflecMCA (Mathematica) programs for simulation of reflection from magnetic layers available at the LLB, Saclay, France.
http://www-llb.cea.fr/prism/programs/programs.html This link also provides links to other software by Frederick Ott for off-specular scattering. -
Description of Parrat32 for multilayer reflectivity calculation and fits. This was available from BENSC, Germany but is currently not supported or available for download. Historic documentation is found at www.archiv.org .
Parrat32 -
IMD - an IDL package by David L Windt for optical reflectivity calculations
http://www.rxollc.com/idl/ -
A program for analyzing Grazing Incidence Small Angle X-ray Scattering on nanostructures by R. Lazzi, F. Leroy, C. Revenant-Brizard and G. Renaud, Grenoble.
http://www.insp.jussieu.fr/oxydes/IsGISAXS/isgisaxs.htm -
RFIT2000: a program written in Delphi by Oleg Konovalov at the ESRF, Grenoble to X-ray and neutron reflectivity data.
http://www.esrf.eu/computing/scientific/RFit2000/rfit2000.htm -
yanera: fits multiple contrasts using a variety of different minimisation algorithms. Written by Thad Harroun, Brock University.
http://www.physics.brocku.ca/~tharroun/yanera/index.html -
StochFit: StochFit utilizes stochastic fitting methods to model specular x-ray reflectivity or neutron reflectivity data. Written by S. M. Danauskas et al, University of Chicago. http://stochfit.sourceforge.net/
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DANSE - Reflectometry. As part of larger project on software development the University of Maryland provides libraries and applications for reduction, analysis, modeling and simulation of reflectometry data. https://refl1d.readthedocs.io/en/latest/#
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FitSuite - a program for fitting reflectometry and other data (such as Mossbauer resonant reflection data) from KFKI, Hungary. http://www.fs.kfki.hu/
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Irena - modules for Igor Pro used primarily for small-angle scattering but also for reflectivity. The package is developed by Jan Ilavsky at APS with reflection calculations based on modules from Andrew Nelson (ANSTO). https://usaxs.xray.aps.anl.gov/software/irena
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SANGRA: Script Automated Neutron Grazing Reflectivity Analysis package from the Soft Matter and Biophysics group at the University of Santiago de Compostela http://alanine.usc.es/sangra/sangra.php.
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AuroreNR: Matlab software developed for the analysis of neutron reflectivity data by Yuri Gerelli at the ILL, Grenoble. http://sourceforge.net/projects/aurorenr/.
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Överlåtaren: program to transform grazing incidence data in to maps in reciprocal space created by Franz Adlmann, Uppsala. http://www.physics.uu.se/research/materials-physics+/research/oever.
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REFLEX: Matlab software developed by Guillaume Vignaud and Alain Gibaud for X-ray, soft X-ray (incorporating polarisation) and neutron reflectivity fitting. http://reflex.irdl.fr/Reflex/reflex.html.
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Multifitting: this is software developped by Mikhail Svechnikov, Moscow for fitting multiple layer structures http://xray-optics.org/products/software-multifitting/
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Zeeman Splitting: a Jupyter notebook from Michael Fitzsimmons that accounts for Zeeman splitting in polarized neutron reflectometry data https://github.com/mfitzsimmons44/reflectometry-analysis
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anaklasis: a set of open-source Python3 scripts (with fortran90 extensions) that facilitate a range of specular neutron and x-ray reflectivity calculations https://github.com/alexandros-koutsioumpas/anaklasis
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ESCAPE: Python/C++ package with full integration to Jupyter project. Provides solutions for different scattering problems, like reflectivity, small angle scattering, high resolution x-ray diffraction, gamma-emissions, etc. Overview: https://arxiv.org/abs/2011.01340 https://escape-app.net