FullProfAPP is a program that wraps around the refinement software FullProf to perform the Rietveld refinement of powder diffraction patterns in a highly automated way.

The program offers several protocols for performing tasks such as (i) full-profile phase search from materials databases and/or  CIF files provided by the user, and (ii) running highly flexible user-defined refinement workflows including automated Rietveld refinements for structural analysis and phase quantification, as well as flexible sequential refinements. FullProfAPP is in particular thought to facilitate the analysis of large series of powder diffraction patterns, generated for instance in the case of high-throughput experimentation and/or in the case of operando experiments; therefore it allows loading and handling several dozens to hundreds of XRD and NPD patterns at once. FullProfAPP is distributed with an intuitive Graphical User Interface (GUI) that improves user experience. 

Beta version:

A beta version of the FullProfAPP is available at the BIG-MAP’s app-store. FullProfAPP is distributed as a standalone executable binary so there is no need for installing anything.

This software is distributed under the GNU General Public License version 3 (GPLv3). For more information about the licensing terms read the LICENSE file of the distribution or go here.

In compliance with the terms and conditions of GPLv3, the source code for the beta version is available by petition of the users (see contact information).

Authors:

  • Oier Arcelus (CIC energiGUNE)
  • Juan Rodriguez-Carvajal (Institute Laue Langevin)
  • Nebil Ayape Katcho (Institute Laue Langevin)
  • Carlos Frontera (ICMAB)
  • Marine Reynaud (CIC energiGUNE)

Contact:

fullprofapp@cicenergigune.com

Related contents:

Acknowledgements:

FullProfAPP is currently being developed as part of the BIG-MAP Stakeholders Initiative from a collaboration between CIC energiGUNE, ILL, ALBA Synchrotron and ICMAB-CSIC.

This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 957189.

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