Software & scientific tools

See also the list of software supported by the 'Computing of Science' group.

Web tools

Activation table of elements
A table from LANSCE which allows you to calculate the activation of a sample after it has been in a neutron beam for one day and the amount of time for it to decay to 2nCi/g or less. Topics: Storage time, Prompt activation, Contact dose.

Energy-dependent neutron cross-sections
An interactive tool from the Nuclear Data Center (Japan Atomic Energy Agency) offering a compilation of many experimental data about nuclides.

Neutron scattering length table (from NIST Center for Neutron Research)
(Select the element, and you will get a list of scattering lengths and cross sections. All of this data was taken from the Special Feature section of neutron scattering lengths and cross sections of the elements and their isotopes in Neutron News, Vol. 3, No. 3, 1992, pp. 29-37.)

Neutron scattering lengths (from Vienna Atominstitut)
It offers several different tables, including one in the form of a clickable periodic table.

Periodic table of elements (
An interactive table compiling many data about element.

DIF tools (calculator)
Some useful calculations such as Bragg's law, Scattering angle, Density, Temperature unit conversion.
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ICSD for www (Inorganic Crystal Structure Database)
This is a free web access to the ICSD database of 2011. While this tool is an alternative to the official ICSD GUI maintained by Karlsruhe. While technically outdated it is still much used. The interface and tools are by Peter, Marcus and Alan Hewat.
To get started, just enter e.g. Y Ba2 Cu3 O in the elements box and click "Search".

PUMA-BI | PUblication MAtching Business Intelligence (connected access only)
This application is a FILL2030 initiative, a European Union project within the European Commission's Horizon 2020 Research and Innovation programme under grant agreement N°731096.


The ILL Neutron Data Booklet (pdf - 9.21 Mi)- published in 2002.
Chapters: 1-Neutron Properties, 2-Neutron Scattering, 3-Techniques, 4-Activation and Shielding, 5-Miscellaneous
Hard copies can be ordered on the publisher's web site for 30 USD.

PaNdata - a neutron and photon Software Catalogue
A scientific software catalogue, i.e. a database of software used mainly for data analysis of neutron and photon experiments.
It can be freely consulted. It gives an overview of softwares available for neutron and photon experiments and their use with respect to instruments at experimental facilities.
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Esmeralda - The Esmeralda suite is a set of applications that range from the simulation of Laue patterns to the extraction from measured Laue patterns of normalized squared structure factors ready for use for structure determination.
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The FullProf suite - a set of crystallographic tools mainly developed for Rietveld analysis (structure profile refinement) of neutron (constant wavelength, time of flight, nuclear and magnetic scattering) or X-ray powder diffraction data collected at constant or variable step in scattering angle 2theta.
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Grasp - a MatlabTM script application designed for the graphical inspection, analysis and reduction of multi-detector data produced by the Small-Angle Neutron Scattering (SANS) instruments of the Institut Laue-Langevin (ILL).
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iFit-Matlab - A versatile tool for scentifc data analysis, e.g. import/export, mathematical operators, fitting, plotting, etc.
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Int3D - Int3D is a a Graphical User Interface (GUI) application for data reduction of single crystal neutron diffraction experiments. It allows users to easily perform all the tasks needed to convert raw data into integrated intensities, offering for example to scan the data to locate reflection peaks, and then to visualize them in the reciprocal space.

LAMP - a tool for the treatment of data obtained from neutron scattering experiments at the Institut Laue-Langevin. It can also be seen as a GUI-laboratory for data analysis based on the IDL language.

Mag2Pol is a program for the analysis of spherical polarimetry and flipping ratio data. However, nuclear and magnetic structure analysis from integrated intensities is also possible. 
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Mantid - The Mantid project <> provides a framework for high-performance computing and visualisation of neutron scattering data. 
Requests concerning features or issues specifically related to ILL can be addressed to
There is also a mail list to communicate news concerning the project at the ILL: (send a member request to be added to the list). 

McStas - a ray-tracing simulation program to very precisely model a neutron instrument described as a series of beam-line components.
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Neutrons4Science -  Enter the world of neutrons! Perform simulated neutron experiments. You don't even need to be a scientist to use Neutrons4Science. Just be curious!
ThALES: perform an interactive virtual TAS experiment; Magnons: play with the interaction of a neutron with atomic spins; GRANIT: discover neutron quantum states in a gravitational field.
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NeutronEncyclopedia - an encyclopedia dating back to 2004/2005, which explains neutrons and the unique properties that make them so useful to science and industry.
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Takin - for X-rays and neutron science
Software for experiment planning, visualisation, and data analysis of neutron and X-ray inelastic scattering experiments./> Shortcut: <>

Automatic pathfinding for Triple-Axis Spectrometers (TAS) for neutron inelastic scattering measurements.
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vDiffraction - a serious game about diffraction and crystals: a fun way to discover the world of crystals and their symmetries through diffraction.
Discover which materials crystallize, try to find the symmetry of proposed crystal, learn about some aspects of diffraction by crystals and powders.
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vTAS - A Virtual Three Axis Spectrometer with support of both the classical geometry and of several multiplexing options (FLATCONE, IMPS, UFO, MultiFLEXX).
It implements two interactive graphical displays, one corresponding to the scientific space (reciprocal space) and one the corresponding instrument space (real space).
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