A tool to help with parsing and extracting meaningful information from diffraction data files (.nxs, .h5, .dat files etc). This library should handle both parsing and running standard calculations against the parsed data.
B matrices are calculated from data files. If your favourite diffractometer's data files aren't supported, raise an issue on the github repo. U matrices are calculated at runtime from input arguments.
In the code, U matrices are referred to as "orientation matrices", while B matrices are "goniometer matrices".
To install, first install all the requirements listed in requirements.txt using your favourite python package manager. Then you can install diffraction_utils.
Something like:
pip install -r requirements.txt pip install -e .
would do the trick using pip.