The documentation is undercooked and much of it has not been written. If you want to run the code it might be simplest to email me (Simon Hunt) at FirstName.LastName@manchester.ac.uk (replace as approprite). Or raise issues in the repository.
The development of the code is ongoing. Each new data set we process finds new limits to the code and I am happy to fix such issues as they arise.
Installation is available through git or via pip
From git use
git clone https://github.com/ExperimentalMineralPhysics/Continuous-Peak-Fit.git
To install the required dependencies use, in the Continuous-Peak-Fit directory use
pip install requirements.txt
For pip installation use
pip install continuous-peak-fit
this should automatically install the required dependencies.
Continuous-Peak-Fit can be run in a number of ways but requires an inputs file containing information about where your data files are stored as well as information of the number of peak and appropriate ranges for the fit. Example data and inputs file are available in the Example1-Fe directory from the git repository.
If using a pip install an example inputs file can be generated using the 'CPF_generate_inputs' executable or from within python using
import cpf
cpf.generate_inputs()
Fitting can then be performed using
CPF_XRD_FitPattern <inputs_file> from the command line
or from within python
import cpf
cpf.XRD_FitPattern.execute(settings_file=<inputs_file>)