| loadList {RMassBank} | R Documentation |
Loads a CSV compound list with compound IDs
loadList(path, listEnv=NULL, check=TRUE) resetList()
path |
Path to the CSV list. |
listEnv |
The environment to load the list into. By default, the namelist is loaded into an environment internally in RMassBank. |
check |
A parameter that specifies whether the SMILES-Codes in the list should be checked for readability by rcdk. |
The list is loaded into the variable compoundList in the environment
listEnv (which defaults to the global environment) and used by
the findMz, findCAS, ... functions. The CSV file is required to have at least the following columns, which are used for
further processing and must be named correctly (but present in any order): ID, Name, SMILES, RT,
CAS
resetList() clears a currently loaded list.
No return value.
Michael Stravs
##
## Not run: loadList("mylist.csv")