RMassBank (version 2.0.0)

makeMollist: Write list.tsv file

Description

Makes a list.tsv file in the "moldata" folder.

Usage

makeMollist(compiled)

Arguments

compiled

A list of compiled spectra (in tree-format, as returned by compileRecord).

Value

No return value.

Details

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).

Examples

## Not run: 
# 		compiled <- compileRecord(record, mbdata, refilteredRcSpecs)
# 		# a list.tsv for only one record:
# 		clist <- list(compiled)
# 		makeMollist(clist)
# ## End(Not run)