subStructure.Annotate: composite spectra substructure annotation

Description Usage Arguments

Description

composite spectra substructure annotation

Usage

1

Arguments

Frag_mzabs

Absolute mass accuracy difference to identify neutral losses and fragments in composite spectra (default = 0.01).

SubStrs

substructure data frame (default = Substructure_masses) see ?Substructure_masses for details of the mandatory table fields/ format

minRelInt

minimum relative intensity to consider a spectral signal for substructure annotation (default = 5 i.e. 5% rel. int.).


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