Line profile analysis output analyser in python

This repository is related to the analysis of crystals containing dislocations by X-ray diffraction. It is part of a project conducted during a research internship at the laboratory of material and structural sciences of the École Nationale Supérieure des Mines de Saint-Étienne. Three python packages have been developed to conduct line profile analyses based on simulation results:

• lpa.input (line profile analysis input generator)
• lpa.xrd (line profile analysis x-ray diffraction simulation program)
• lpa.output (line profile analysis output analyzer)

The package lpa.output can be used to:

• average the simulation output files
• export figures presenting the Fourier amplitudes for each harmonic
• fit different model for the calculation of the dislocation density
• export files and graphics containing information on fits

The package is indexed on PyPI and installable directly via pip:pip install -U lpa-output

Simulation output plot