plothomolplotly: Creates interactive visualization from the output of...

In blosloos/nontarget: Detecting Isotope, Adduct and Homologue Relations in LC-MS Data

Creates interactive visualization from the output of homol.search() of retention time (RT) vs. m/z

Description

Given results from homol.search, an interactive plot of homologue series (HS) is generated. The homologue series are color coded in groups of common m/z increments. Hovering over the HS reveals further information of the peaks.

Usage

  plothomolplotly(homol)

Arguments

homol

List of type homol produed by homol.search.

Author(s)

Martin Loos; Diana Masch

See Also

homol.search

Examples

  
    data(peaklist);
    data(isotopes)
    homol<-homol.search(
      peaklist,
      isotopes,	
      elements=c("C","H","O"),
      use_C=TRUE,
      minmz=5,
      maxmz=120,
      minrt=2,
      maxrt=2,
      ppm=TRUE,
      mztol=3.5,
      rttol=0.5,
      minlength=3,
      mzfilter=FALSE,
      vec_size=3E6,
      spar=.45,
      R2=.98,
      plotit=FALSE
    )
    plothomolplotly(homol);
  

blosloos/nontarget documentation built on June 2, 2022, 3:53 p.m.