parser for massbank record --> R (list) October 28, 2016, 01:48:05 AM RMassBank first creates a list structure for the info that goes in the RMassBank record, but is there a way to go the other way?--> A parser to read the RMassBank txt files into an R friendly structure. Quote Selected
Re: parser for massbank record --> R (list) Reply #1 – November 21, 2016, 04:04:41 AM The newest, cutting edge RMassBank version does this.install_github("MassBank/RMassBank@s4power")RMassBank:::parseMbRecord(filename)parses a massbank record to a RmbSpectrum2 objectRMassBank:::parseMbRecords(filenames)parses multiple files into a list of RmbSpectraSet objects (i.e. it groups the spectra by compound)(yes it's not even exported yet - I just wrote it a week ago. Also, in the older RMassBank versions, there is parseMassBank which also parses MassBank records, but not into the "native" RMassBank/MSnbase format. parseMassBank will be replaced by parseMbRecord(s) soon, i.e. parseMbRecord(s) will be renamed to parseMassBank and will be an S4 method.) Quote Selected