GSAS-II
Auto-indexing and Rietveld refinement of powder X-ray and neutron diffraction patterns. Indexes patterns into ranked unit cells with M20/F20 figures of merit and refines structural models (Rwp, GOF, lattice parameters), running headless via the scriptable interface.
Citation
Toby, B.H.; Von Dreele, R.B. GSAS-II: the genesis of a modern open-source all purpose crystallography software package. J. Appl. Cryst. 46, 544-549 (2013). DOI:10.1107/S0021889813003531