loadList: Load compound list for RMassBank

In sneumann/RMassBank: Workflow to process tandem MS files and build MassBank records

Description

Loads a CSV compound list with compound IDs

Usage

loadList(path, listEnv=NULL, check=TRUE)

resetList()

Arguments

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.

Details

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.

Value

No return value.

Author(s)

Michael Stravs

See Also

findMz

Examples

##
## Not run: loadList("mylist.csv")

sneumann/RMassBank documentation built on Oct. 20, 2020, 3:19 p.m.