<i>FullProfAPP</i> : a graphical user interface for the streamlined automation of powder diffraction data analysis
Oier Arcelus, J. Rodrı́guez-Carvajal, Nebil A. Katcho, Marine Reynaud, Ashley P. Black, Dimitrios Chatzogiannakis, Carlos Frontera, Jon Serrano‐Sevillano, Maha Ismail, Javier Carrasco, François Fauth, M. Rosa Palacín, Montse Casas‐Cabanas
Abstract
FullProfAPP is a software tool for data processing, refinement and visualization of large collections of powder diffraction patterns. Featuring an intuitive graphical user interface, it seamlessly facilitates a variety of tasks. These include conducting full-profile phase searches, sequential and high-throughput Rietveld refinements, and managing background (and peak) detection. FullProfAPP also provides convenient interaction with crystallographic databases and supports the visualization and export of high-quality pixel and vector graphics depicting the refinement results, among other functionalities. FullProfAPP wraps around the refinement program FullProf [Rodríguez-Carvajal (1993), Physica B , 192 , 55–69] and offers the flexibility of user-defined workflows by accessing and editing FullProf 's input files and triggering its execution as necessary. FullProfAPP is distributed as open-source software and is presently available for Windows and Linux operating systems.