CD-To-Csv

Converts output from Compound Discoverer into a csv format suitable for massSight

Usage

cd2csv(path, gen_id = TRUE, output_file = NULL)

Arguments

path

The path to the Compound Discoverer Excel (.xlsx) file

gen_id

If TRUE, this function will generate a unique id for each compound based on retention time and mass to charge ratio.

output_file

The name of the file to save the formatted data. If NULL (default), a csv file will not be written.

Value

A dataframe that can then be used by massSight's auto_combine() or auto_scale()