makeMollist {RMassBank} | R Documentation |
Makes a list.tsv file in the "moldata" folder.
makeMollist(compiled)
compiled |
A list of compiled spectra (in tree-format, as returned by |
Generates the list.tsv file which is needed by MassBank to connect records with their respective molfiles. The first compound name is linked to a mol-file with the compound ID (e.g. 2334.mol for ID 2334).
No return value.
Michael A. Stravs, Eawag <michael.stravs@eawag.ch>
## Not run: compiled <- compileRecord(record, mbdata, refilteredRcSpecs) # a list.tsv for only one record: clist <- list(compiled) makeMollist(clist) ## End(Not run)