config.ini

[params]

num_cores : 8 # Set the number of cores to be used for generating pathways.
use_NS : False # Set to True if you want to consider molecules/neutral losses/fragments with N and S.

; input_file_path : 'input/Test.xlsx' # Path to the input file containing MS/MS spectra.
input_file_path : 'input/Input_file_2DMSMS_HR-1.xlsx' # Path to the input file containing MS/MS spectra.
multiple : 1 # multiple of each neutral loss to consider to find the next peak.
tolerance : 1 # fragment tolerance for generating pathways in mDa.
nominal_tolerance : 1 # fragments within +-nominal_tolerance Da will be considered precursors.
overlap_len : 100 # Overlap length threshold of pathways for creating families. Should be at least 2. To enforce complete overlap set it to large number e.g. 100