targMS2csv: Generate target list (.csv) file from subset peak table

In WMBEdmands/MetMSLine: an automated and fully integrated pipeline for rapid processing of high-resolution LC-MS metabolomic datasets.

Description

Generate target list (.csv) file from subset peak table

Usage

targMS2csv(peakTable = NULL, filename = NULL, manufacturer = "Agilent",
  deltaMz = 20, deltaRt = 1, isoWidth = c("Narrow (~1.3 m/z)",
  "Medium (~4 m/z)"))

Arguments

peakTable	either a data.frame, full file path as a character string to a .csv file of a peak table in the form observation (samples) in columns and variables (Mass spectral signals) in rows. If argument is not supplied a GUI file selection window will open and a .csv file can be selected.
filename	character full path file name to save the target list file to.
deltaMz	numeric delta mass accuracy (ppm) for precursor selection.
deltaRt	numeric delta retention time in minutes
isoWidth	character isolation width for quadrupole. either 'Narrow (~1.3 m/z)' or 'Medium (~4 m/z)'.

WMBEdmands/MetMSLine documentation built on May 9, 2019, 10:03 p.m.