RMassBankData: RMassBank test dataset
In meowcat/RMassBankData: Test dataset for RMassBank

This contains data suitable to test the RMassBank functionalities.

The package contains the folders:

spectra LC-MS runs of 15 narcotics standards, in mzML format and deprofiled.
listA CSV list with compound informations for the 15 narcotics, as needed by RMassBank.
infolistsA complete CSV list with annotations for the 15 standards.
infolists_incompleteA partial list of infolists, to demonstrate the download of missing entries.
infolists_editedThe downloaded missing entries, subsequently checked and completed by hand.
resultsThe intermediate and final results of the msms_workflow runs. This serves to build the vignette, since it would take too long to run the whole workflow during the vignette build.