Software
Programs I wrote or co-wrote for the analysis of X-ray diffraction data. All of them are open source; the source code is on GitHub.
RaDMaX online
Recommended version
RaDMaX — Radiation Damage in Materials analysed with X-ray diffraction — retrieves strain and disorder depth-profiles in ion-irradiated materials from the simulation of X-ray diffraction data recorded in symmetric θ/2θ geometry. The diffracted intensity is computed with the Takagi–Taupin equations, and cubic B-spline functions constrain the depth-dependent strain and disorder profiles during the fit.
This browser-based version runs entirely in the web page: there is nothing to install, and no data is stored on the server. It is the version to use. A Binder instance and a local installation are also documented in the repository.
DxTools
Maintained
DxTools converts and processes the large data files recorded with Bruker D8 diffractometers. It handles reciprocal space maps, temperature-dependent experiments, X(Y) scans, sin²ψ measurements, pole figures and arbitrary angular or translation scans, and exports them as individual scans, as a matrix, or in a three-column format.
It also performs basic analysis of the extracted scans: estimation of the peak parameters and pseudo-Voigt fitting.
RaDMaX (desktop)
No longer maintained
This is the original desktop application. It is no longer maintained. For new work, please use RaDMaX online, which implements the same physics in the browser.
The desktop ancestor of RaDMaX online: a graphical program that determines strain and damage profiles in irradiated crystals from θ/2θ X-ray diffraction data. The last changes to the repository date from December 2020.
Installation instructions and the source code are on the GitHub page. The method is described in the paper above and in A. Boulle, A. Debelle, J. Appl. Cryst. 43, 1046 (2010).