Corresponding scientific article:

Corresponding PhD Thesis:

Repository archive on Zenodo:

• PyFDD is a software for fitting channeling data for lattice location;
• Load your data into a Data Pattern to prepare the channeling data;
• Import Simulations Libraries in the .2dl format;
• Use the Fit Manager for fitting;
• For learning how to use the API, start with the examples folder.

• Download the executable from github as use it as it is.

To use PyFDD you must first have python3 and pip installed. If you download python from python.org and use a version >=3.4 it will come with pip.

pip version >= 19.3 is required.

To install PyFDD on linux run,

$ pip3 install git+https://github.com/edbosne/pyfdd.git#egg=pyfdd

To upgrade,

pip3 install --upgrade git+https://github.com/edbosne/pyfdd.git#egg=pyfdd

If you will be using it in jupyter, and you should, you can install it with

$ pip3 install jupyter

To launch a notebook use the command,

jupyter notebook

To install PyFDD on windows run (the command can be "py" or "python" depending on how you installed it),

$ python -m pip install https://github.com/edbosne/pyfdd/archive/master.zip

To upgrade an installed version use,

pip install --upgrade https://github.com/edbosne/pyfdd/archive/master.zip

If you will be using it in jupyter, and you should, you can install it with

$ py -m pip install jupyter

To launch a notebook use the command,

py -m notebook

• The DataPattern class holds the pattern from the measurement, the angular calibration and has the necessary tools to set up the pattern for fitting.

• The Lib2dl class reads 2dl libraries and puts them in the format that is necessary for the fit.

• The Fit class does the fit. If one need to do one single fit for testing this class can be used but for regular analysis the FitManager class is advised.

• The FitManager is the general purpose fit class and the most used in practice. It can fit a pattern over several lattice sites and outputs the results in a .csv file that can be opened with excel.

PyFDD is open source under a GPL3 license. Please look at the LICENCE.txt file for more info.