binning: Bin m/z values

In PlantDefenseMetabolism/MetCirc: Navigating mass spectral similarity in high-resolution MS/MS metabolomics data

Description

Bin m/z values

Usage

binning(msp, tol = 0.01, group = NULL, method = c("median", "mean"), verbose = FALSE)

Arguments

msp	MSP-object, see ?convert2MSP for further information
tol	numerical, boundary value until which neighboured peaks will be joined together
group	character vector, to which group does the entry belong to
method	character vector, method has to be median or mean
verbose	logical vector, if set to TRUE information will be printed if groups were not detected

Details

The functions binning bins fragments together by obtaining bins via calculating either mean or medians of fragments which were put in intervals according to the tol parameter.

Value

binning returns a matrix where rownames are precursor ions (m/z / retention time) and colnames are newly calculated m/z values which were binned. Entires are intensity values in

Author(s)

Thomas Naake, [e-mail]

Examples

data("idMSMStoMSP", package = "MetCirc")
binning(msp = finalMSP, tol = 0.01, group = NULL, method = "median", verbose = FALSE)

PlantDefenseMetabolism/MetCirc documentation built on May 8, 2019, 2:52 p.m.