PDFgui

Entered: Tue Jan 20 2015

Operating systems:

Type:

Languages: Python

Distribution: Free for academic use

Application fields: Biology; Characterization; Chemistry; Diffraction; Materials science; Minerals; Modelling; Powder; Scattering; Structure

Bibliography: C. L. Farrow, P. Juhás, Jiwu Liu, D. Bryndin, E. S. Bozin, J. Bloch, Th. Proffen and S. J. L. Billinge, PDFfit2 and PDFgui: Computer programs for studying nanostructure in crystals, J. Phys: Condens. Mat. 19, 335219 (2007)

Description: For modeling of local structure and nanostructure in materials from atomic pair distribution functions (PDFs). This is a refinement program that takes an initial structure, in the form of a crystal structure, for example from a cif file, and refines structural parameters by fitting to PDF data from x-ray or neutron diffraction experiments. It has an easy to use graphical user interface.

References: diffpy.org