How to use

Import the package

from mlgidbase import mlgidBASE

Initialize analysis from a NeXus file (pygid)

filename = r'./example/BA2PbI4.h5'
analysis = mlgidBASE(filename=filename)

Run peak detection

analysis.run_detection()

Run peak fitting

analysis.run_fitting()

Run peak matching with preprocessed CIFs

analysis.run_matching(
    cif_prepr='./example/prepr_cifs.pickle'
)

Plot the result of analysis

analysis.plot_analysis_results()