fastPeakShapes: fastPeakShapes

In mjhelf/Metaboseek: Metaboseek platform

fastPeakShapes

Description

Calculate peak quality for features in a feature table across a set of MS data files. Will only try fitting a curve in the sample with highest intensity for each molecular feature.

Usage

fastPeakShapes(rawdata, mz, ppm, rtw, workers = 1)

Arguments

rawdata	an xcmsRaw object
mz	numeric (): m/z values (same length as nrow(rtw)).
ppm	m/z width (+/- ppm from values defined in mz)
rtw	a data.frame with minimum (column 1) and maximum (column 2) retention time values (in seconds) in each row.
workers	number of wprkers to use in parallel processing

Value

numeric vector with peak quality estimates for each feature defined by mz and rt

mjhelf/Metaboseek documentation built on April 23, 2022, 12:09 p.m.