reads molecules' parent mass and retention time information from the cluster-info summary file (.tsv) obtained from feature-based molecular networking
reads library IDs from the same file
has an input library_matches that replaces ms2_matches
does not read adduct information (not useful so far, might re-add later)
The plot module now:
has a boolean parameterparent-mz for itol labels
Additionally, I am modifying the TSVMolecules --> pd.DataFrame transformer to explicitly use 'cluster index' as the df index since it may not always be the first column for library match file
This PR addresses #94
The
make-hierarchy
module now:library_matches
that replacesms2_matches
The
plot
module now:parent-mz
for itol labelsAdditionally, I am modifying the TSVMolecules --> pd.DataFrame transformer to explicitly use 'cluster index' as the df index since it may not always be the first column for library match file