WinPLOTR, a graphic tool for powder diffraction developed by T. Roisnel @ISCR

WinPLOTR is a graphic tool for powder diffraction data treatment. It has been developed by T. Roisnel @ISCR, PRTS team, for Windows environment. It can be used to plot and analyse powder diffraction patterns coming from various X-ray and neutrons diffractometers as well as profile refinement software. WinPLOTR can also be used as a Graphic User Interface for external crystallographic software, specially coming from the FullProf package.
 WinPLOTR, a graphic tool for powder diffraction

WinPLOTR program is a graphic tool to plot and analyse powder diffraction data. It has been developed for Windows, following two main priorities:

  • Plot and graphic treatments of powder diffraction patterns

WinPLOTR can then be used to plot and manage many kinds of file formats (raw or normalized data) coming from a large number of diffractometers (X-ray, neutrons), as well as refined data files coming from commonly used profile refinement software (FullProf, Jana, Rietan, …). Different kinds of scattering variables can be selected for plot (2Theta (°)/time of flight (µsec)/Energy (KeV), Q (Å-1), d (Å), …) and diffraction patterns can be displayed using different countings scales (linear, log, ..). WinPLOTR takes advantage of Windows environment and graphic libraries to access to mouse handling (zoom, cursor information in status bar, menu selection) and dialog boxes, leading to make a user-friendly graphic interface.

Different interactive treatments can be applied to the diffraction patterns data to provide a powerful and extended data analysis: sum, difference, smoothing, normalization, profile fitting or microstructural analysis. WinPLOTR includes also automatic search or manual selection for Bragg peaks positions and background points.

  • Graphic User interface (GUI) for various software used in powder diffraction domain, specifically those included in the FullProf Suite.

WinPLOTR thus became a preferred interface for FullProf refinement software, from the selection and edition of input files to the calculation, and finally to graphically plot refinement results as the superposition of calculated and experimental patterns, difference curve and Bragg peaks positions. WinPLOTR is also a valuable and unique interface to run FullProf in sequential mode (refinement of a set of diffraction patterns for the same sample collected depending on a variable external parameter), allowing to create a script for FullProf, to launch this script and finally to automatically plot the variation of refined parameters versus the external parameter.
 

Also note that WinPLOTR can be used as GUI for various indexing software, thus becoming a user-friendly tool in the first steps of a structure determination from powder diffraction data, from the Bragg peak selection procedure to indexing, search of a space group compatible with observed extinctions and extraction of integrated intensities.

Finally, several useful crystallographic tools have also been implemented in WinPLOTR, such as an interactive periodic table (giving scattering and absorption cross sections for X-rays and neutrons), access to information on space groups or generation of a hkl reflections list for a powder diffraction pattern.

WinPLOTR has been developed to be run under Windows environment. It was made available free of charge to the academic scientific community and can be downloaded from the WinPLOTR website.

https://cdifx.univ-rennes1.fr/winplotr

WinPLOTR is also distributed in the FullProf Suite package.


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Contact

Thierry Roisnel  - thierry [dot] roisnelatuniv-rennes1 [dot] fr
Centre de Diffractométrie X
Univ Rennes, CNRS, ISCR-6226, F-35000 Rennes, France