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. 

FullProfAPP distribution

FullProfAPP is available at the BIG-MAP’s app-store along with installers for Windows and Linux operating systems.

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.

DOWNLOAD

• Windows Installer
• Linux Installer (Ubuntu/Debian)

USER´S MANUAL

Access the manual 

REFERENCES 

The authors of FullProfAPP kindly request that users of the program cite the following reference in any work where the program is utilized:

FullProfAPP: a graphical user interface for the streamlined automation of powder diffraction data analysis
O. Arcelus, J. Rodríguez-Carvajal, N. A. Katcho, M. Reynaud, A. P. Black, D. Chatzogiannakis, C. Frontera, J. Serrano-Sevillano, M. Ismail, J. Carrasco, F. Fauth, M. R. Palacin and M. Casas-Cabanas. J. Appl. Cryst. (2024). 57, 1676-169. DOI: 10.1107/S1600576724006885

Authors:

• Oier Arcelus (CIC energiGUNE)
• Juan Rodriguez-Carvajal (Institute Laue Langevin)
• Nebil Ayape Katcho (Institute Laue Langevin)
• M. Rosa Palacin (ICMAB-CSIC)
• Carlos Frontera (ICMAB)
• Ashley Black (ICMAB-CSIC)
• François Fauth (ALBA-CELLS)
• Dimitrios Chatzogiannakis (CIC energiGUNE)
• Jon Serrano (CIC energiGUNE)
• Javier Carrasco (CIC energiGUNE)
• Marine Reynaud (CIC energiGUNE)
• Montse Casas-Cabanas (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.

The program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY of being free of internal errors. In no event shall the authors (or their institutions) be liable for any damages, including any general, special, incidental, or consequential damages arising out of the use or inability to use the programs.