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Computing for Science

The Computing for Science (CS) group supports ILL scientists, students and visitors in a number of activities including data analysis, instrument simulation and sample simulation.

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All Software

PkFit and Filing

Both are user friendly softwares for neutron Three-Axis Spectrometers (TAS).
- Filing is a data file handling tool. It makes it possible:

  • to combine (i.e. add or subtract with optional weights) equivalent data files (i.e. files with compatible scan variables and resolution parameters)
  • to group scan points
  • to change the resolution parameters and save them to a file in the ILL TAS format,
  • to concatenate a free format data file and a parameter file into a single file in the ILL TAS format,
  • to plot several data files on the same graph,
  • etc.

- PkFit is a data processing tool.

  • Inelastic, quasi-elastic or elastic spectra are fitted by a linear background plus a series of peak functions.
  • The program offers several build-in peak functions but the user may add its own peak shapes through plug-in routines.
  • The model can include the Bose factor, the kf or ki correction, the neutron absorption and the convolution of the signal with a one-dimensional or a four-dimensional resolution function. The later is calculated from the configuration parameters of the spectrometer through the help of the Cooper-Nathans method or the Popovici method. Fast 4D integration is performed by either of two methods, one based on a Monte-Carlo integration technique and the other based on a Gaussian approximation.

Both Filing and PkFit were developed in the years 1990, first for Mac OS classic and then for Linux and VMS.
Ref: A. Bouvet, A. Filhol (1997) Technical report ILL97BO03T, Institut Laue-langevin, France.
Both applications have been ported to modern operating systems under the strong impulse of Louis-Pierre Regnault. This work was funded by the ILL and by the CRG IN22 (CEA-CENG).

Download and documentation

Most recent version (based on Winteracter)

PkFit for Mac OS X  - Download HERE

PkFit for Windows  <-- not yet available

PkFit for Linux  <-- not yet available

Filing  <-- not yet available

Interim Mac OS X version (based on PGplot). This was a quick and dirty port of the old Linux version.

PkFit for Mac OS X

The original Filing and Pkfit package is now obsolete. However you can still run the Mac OS Classic version on today's computers using a tool like SheepShaver.

Filing and PkFit for VAX, Mac OS classic and Linux 

Copyright

Filing and PkFit have been developed at the ILL (Institut Laue-Langevin, Grenoble, France) by A.Bouvet, A.Filhol, J.Kulda and J.Saroun and at Olilog Conseil (France) by J.Divol. They are freely available for non-commercial use but are copyrighted by the Institut Laue-Langevin. This software package is provided "as is" with no warranty.