indexMasterSpectrum: Index the m/z axis

In pmbrophy/mzDataTable: Import and convert raw mass spectrometry data formats

Description

Index the m/z axis for a set of mass spectra. Function outputs normalized m/z values and integer index values.

Usage

indexMasterSpectrum(mzDt, ppmTol, isCentroid = TRUE)

Arguments

mzDt	a data.table containing a column named mz
ppmTol	the grouping tolerance in ppm
isCentroid	Logical. The default is 'TRUE'. Are the spectra centroids?

Value

Returns the original data.table also containing the the normalized m/z values and their index

Examples

mz <- c(100, 100.01, 100.02, 100.021, 100.2, 100.21, 100.22, 100.22, 100.31)

pmbrophy/mzDataTable documentation built on June 6, 2020, 7:43 a.m.