dataframe with paired peaks for specific pmd or pmds. When group is provided, a column named net will be generated to show if certain pmd will be local(within the same group) or global(across the groups)
Arguments
mz
a vector of mass to charge ratio.
group
mass to charge ratio group from either retention time or mass spectrometry imaging segmentation.
pmd
a specific paired mass distance or a vector of pmds
digits
mass or mass to charge ratio accuracy for pmd, default 2.
mdrange
mass defect range to ignore. Default c(0.25,0.9) to retain the possible reaction related paired mass.