lpa-output 0.8.5

Tools for the analysis of X-ray diffraction simulation output.

Line Profile Analysis - Output

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)

Features

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

Installation

The package is indexed on PyPI and installable directly via pip:

pip install -U lpa-output

Abbreviations

Some abbreviations are used in the figures:

• G: Groma
• K: Kamminga
• W: Wilkens

User guide

The directory tests/ contains several examples of package module usage. The docstrings are carefully written and it is recommended to refer to the documentation with the help() command.