Data Analysis Standards (WP6)

Emmanuel FARHI

Coordinator: , ILL


All the deliverables of the work-package have been published, and are made available to the neutron/muon community. This work package is now completed.


High resolution detectors and higher data rates, among others, make new demands on software that require professional software solutions. In particular, new instruments constitute a considerable challenge for software provision and failure to address this issue leads to a delay in the scientific impact of new investment.

The importance of data analysis has now become clear and is becoming a focal point of efforts to optimise scientific production.

The aim of this networking activity is to determine how to develop, deploy and operate a common data analysis software infrastructure to facilitate joint software development in the neutron scattering community.

Workpackage 6 FP7/NMI3-II project number 283883 tasks (started June 2012):

  • Task 1 : Review existing data analysis software and practices of software developers (March 2013)
  • Task 2 : Review existing solutions for a common data analysis infrastructure (March 2014)
  • Task 3 : Develop prototype software in chosen solution for representative applications (Sept 2014) ; Source code
  • Task 4 : Evaluate prototype software (Feb 2015)

Partners: ILL (lead), STFC/ISIS, TUM and JCNS (FRM2), PSI, HZB, CEA, HZG/Hamburg, ESS Lund/Copenhagen

Look at our Meetings here with their minutes.

Tasks and Reports

Work package 6 "Data Analysis Standards" description, tasks and reports

LiveDVD for testing/installing software (July 2013)

Live DVD NMI3/ILL cover (July 2013) Live DVD NMI3/ILL cover (July 2013) The Live DVD NMI3/ILL based upon Ubuntu 12.04. Ready to run, with all software pre-installed.

release July 2013

The Data Analysis workpackage and the Computing for Science group at the ILL, provide a ready to run LiveDVD (bootable) which includes a set of neutron scattering software. It runs out of the box, does not affect your current installed system, and can optionally be installed on a hard disk (create an empty partition/area so that the installer use it).
This is especially suited for testing software, schools/workshop/tutorials, and system deployment.

The current Live DVD 'July 2013' is based upon a Ubuntu 12.04 system with the following additional applications:

  • LAMP, DAVE, Mantid, Frida, Isaw, nMoldyn, iFit, qtiKWS
  • McStas, Vitess, SimRes
  • MFit/MView, vTAS, ResTrax
  • GRASP, SANSView, SASFit, GenX
  • FullProf, PDFgui, F.O.X., OpenMX, GSAS/EXPGUI

as well as:

  • C, C++ and Fortran compilers, Java, Python, Perl, Tcl/Tk, MPICH,
  • Python libs: Matplotlib, numpy, scientific, tk, numeric
  • AbInit, Chemtool, Gelemental, Ghemical, Gperiodic,
  • Gromacs, mopac, MPQC, PyMol, Rasmol, Viewmol,
  • Avogadro, DrawXtl, CBFlib DX, Fityk, Gabedit, Garlic, Gcrystal,
  • Scilab, Octave, PerlDL, PGPLOT, netcdf, ncview, hdf4, hdf5, nexus, hdfview
  • GeomView, OpenBabel, ParaView, Maxima, Java3d, Mayavi, qtiplot
  • gimp, virtualbox, openoffice, freewrl, partimage, gparted

Get the LiveDVD here (3.2 Gb ISO). Burn ISO, reboot, login with nmi3 no password. More information at the ILL Computing for Science .


  • March 2011: initial release based on Ubuntu 10.04
  • May 2012: release based on Ubuntu 12.04 , adding Frida, Isaw, SANSview, GenX, PDFgui, Vitess. nMoldyn and FreewWRL are buggy.
  • June 2012: fixed FreeWRL crash, and nMoldyn. Update your May 2012 installation by installing the following U12.04 amd64 deb packages python-netcdf, python-scientific, libmozjs2d, freewrl).
  • July 2013: updated packages, fixed some applications

Live DVD Release Notes

Neutron-Muon software Debian repository

Software sources: add Debian repository

Software sources: add Debian repository

We now provide an experimental Debian repository with selected data reduction/analysis software. The packages are available for a 64 bits Debian based linux system (e.g. Debian, Ubuntu, Mint, …).

Included packages: bornagain, dave, flatcone, frida, fullprof, genx, grasp, gsas, horace, ifit / reslibcal, isaw, lamp, mcstas-suite, mcxtrace-suite, mfit, neutrons4science, nmoldyn, restrax, root, sasfit, simres, vitess, vtas

To install the packages:

  1. sudo apt-add-repository 'deb stable main'
  2. sudo apt-get update
    and then use your package manager (e.g. Aptitude, apt-get, Synaptic, …).

Produced code and software

The following code has been produced:

Download software