makeMollist {RMassBank}R Documentation

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).

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).

Value

No return value.

Author(s)

Michael A. Stravs, Eawag <michael.stravs@eawag.ch>

Examples

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

## End(Not run)

[Package RMassBank version 2.8.0 Index]