Read.MSspec: Read LC/GC-MS spectra (.netCDF, .mzXML, mzData)

In xia-lab/MetaboAnalystR3.0: An R Package for Comprehensive Analysis of Metabolomics Data

Description

This function handles reading in LC/GC-MS spectra files and fills in the dataSet object. It uses functions from the XCMS package to perform peak detection and alignment (grouping).

Usage

Read.MSspec(mSetObj, folderName, profmethod, fwhm, bw)

Arguments

mSetObj	Input the name of the created mSetObj (see InitDataObjects)
folderName	the name of the folder containing the MS spectra
profmethod	specify the method to use for profile generation, supports "bin", "binlin", "binlinbase" and "intlin"
fwhm	specify the full width at half maximum of the matched filtration gaussian model peak
bw	define the bandwidth (standard deviation of the smoothing kernel) to be used

Author(s)

Jeff Xia [e-mail] McGill University, Canada License: GNU GPL (>= 2)

xia-lab/MetaboAnalystR3.0 documentation built on May 6, 2020, 11:03 p.m.