subStructure.probSummary: summarizes most probable substructure type within all...

In WMBEdmands/compMS2Miner: an automatable metabolite identification, visualization and data-sharing R package for high-resolution LC-MS datasets

Description

summarizes most probable substructure type within all composite spectra

Usage

subStructure.probSummary(object, ...)

Arguments

object	a compMS2 class object
n	number of top substructure types to print.
minSumRelInt	numeric (default = 30)miminum summed relative intensity to consider a probable substructure type identification.

Value

a named numeric vector of frequency of most probable substructure types identified. The most highly ranked probable substructure type for each composite spectra is based on the largest summed relative intensity explained by the characteristic substructure neutral losses and fragments.

WMBEdmands/compMS2Miner documentation built on May 9, 2019, 10:04 p.m.