FullProf

FullProf is a computer program designed for Rietveld refinement of crystallographic structures from powder diffraction data, primarily X-ray and neutron diffraction. It was developed by Juan Rodríguez-Carvajal in the 1990s at the Universidad de Valencia and is the central component of the FullProf Suite. The software has become a widely used tool in materials science, solid-state chemistry, and related fields.

It performs nonlinear least-squares refinement of a structural model against observed diffraction patterns. Capabilities include refinement of unit-cell parameters, atomic positions, occupancies, and thermal displacement parameters, as well as microstructural effects such as peak broadening, preferred orientation, and extinction. FullProf can handle multi-phase refinements, user-defined background models, and various peak-shape functions. It supports refinement of magnetic structures and allows constraints, restraints, and symmetry checks. The output includes refined parameters, goodness-of-fit indicators (R-factors and related statistics), as well as calculated patterns and plots for comparison with observed data; it can also export refined structures to CIF.

FullProf is distributed as part of the Freeware FullProf Suite, available for academic use from the author’s distribution. It runs on Windows and Unix-like systems and is often used with graphical interfaces such as WinPLOTR or Maud to facilitate data handling and visualization. The program has a long-standing presence in crystallography and continues to be cited in publications involving Rietveld refinements of powder diffraction data.