addSpecToLibrary: An add Spec to library function This function recieves a...

In levitesm/msms.spectra.clusters.R: MSMS Spectra clustering and spectral libraries creation.

Description

An add Spec to library function This function recieves a library object created by the CreateLibFromMGF function and a spectrum which is to be added to the library. It returns library with the new spectrum added.

Usage

addSpecToLibrary(library, Spec, D_MS = 0.04, D_MSMS = 0.04,
  MIN_PEAK_COUNT = 5)

Arguments

library	A spectral library for Spectrum addition
Spec	A spectrum to be added to library. A single entity for an MGF object.
D_MS	a maximal difference between precoursor masses of two spectra for them to be considered the same. Defaults to 0.04.
D_MSMS	a maximal difference between fragmentation spectra peaks' masses from them to be considered the same. Delaults to 0.04.
MIN_PEAK_COUNT	a minimal number of correlating peaks between two spactra for them to be consideredd the same. Defaults to 5.

Examples

library1<-addSpecToLibrary(library1,mgf1[100])

levitesm/msms.spectra.clusters.R documentation built on May 4, 2019, 4:13 a.m.