Gradually release atomic positions, then thermal factors (B‑iso), then occupancies. Monitor the reliability factors:
| Software | Best For | FullProf Advantage | | :--- | :--- | :--- | | | User-friendly X-ray refinement | FullProf handles complex magnetic structures better | | Jana2006 | Modulated and composite structures | FullProf has a larger community for standard powders | | TOPAS (Commercial) | Fast, automated refinement | FullProf is free and allows complete algorithmic control | | MAUD | Texture and stress analysis | FullProf has superior magnetic Fourier mapping | fullprof software
Would you like help with installing it, writing an input file, or interpreting an output? FullProf excels at simultaneous refinement
"FullProf" is a used primarily in crystallography and materials science for analyzing powder diffraction data (X-ray, neutron, or synchrotron). X-ray + neutron
FullProf excels at simultaneous refinement. Users can refine multiple phases (e.g., product + impurity) and multiple histograms (e.g., X-ray + neutron, or different detectors) concurrently. This is essential for quantitative phase analysis (QPA) and parametric refinement.