DEBUSSY

Entered: Tue Sep 29 2020

Operating systems: Linux; MacOS; MS Windows

Type: Binary; Source

Languages: Fortran; Python

Distribution: Free for academic use

Application fields: Chemistry; Data analysis; Crystal morphology; Diffraction; Materials science; Modelling; Powder; Scattering; Structure

Bibliography: J. Appl. Cryst. 2015, 48, 2026-2032

Description: DebUsSy stands for Debye User System and consists of a suite of programs implementing a fast approach to the Debye Scattering Equation (DSE) Analysis for powder diffraction data from nanocrystalline and/or non-ordered materials. Debussy uses the previously created database(s) and carries out a fast calculation of the diffraction profile of each cluster that contributes to the total pattern, according to a suitable and adjustable size-distribution function. The analysis can be performed on single- or multiple-phase specimens, trying to fit one or more experimental data sets collected with Synchrotron or laboratory X-ray, neutron and electron beams. For all radiation types, the scattering amplitudes/factors of atomic species are encoded into the program. Different options are also available to deal with lattice expansions or contractions variable with the crystal size. Both Chebyshev polynomials and experimentally collected data can be used to manage the background component.

References: http://debussy.sourceforge.net/debussy/debussy.html