LOB_viewdata: Vizualize lipids annotated by LOBSTAHS with live graphs in...

View source: R/LOB_viewdata.R

LOB_viewdataR Documentation

Vizualize lipids annotated by LOBSTAHS with live graphs in shiny

Description

This function launches a shiny app to graph detected lipids in retention time verse m/z space. Graphs can be colored based on multipul screening criteria in order visualize data and identify correct or suspect annoations.

Usage

LOB_viewdata(peakdata, rawSpec = NULL)

Arguments

peakdata

A object of class LOBSet or data.frame generated with getLOBpeaklist() that contains the peakdata of identifed lipids.

rawSpec

If the user chooses, a XCMSnExp object to be searched contianing both MS1 and MS2 spectra that the peakdata was generated from. LOB_findMS2() can be run within the shiny app to detect MS2 spectra that may correspond with annotated peaks.

Details

Runs a shiny app that allows for multipul visualizations of the LOBSTAHS generated lipid annotations. Annotations can be viewed by class, double bonds, carbon number, oxidation, retantion time, screening criteria, and more. In addition to this, the GUI allows for easy passing of mz and rt info to LOB_findMS2(). Peaks may be selected by clicking to display their metadata and multipul annotations in a table. MS2 spectra of annotated peaks may be identifed elsewhere using the the output of LOB_findMS2() which is displayed in app.

Value

A shiny app.

Note

Currently in development.

Author(s)

Henry Holm, hholm@mit.edu
Dan Lowenstien, dlowenstein@whoi.edu
Max Jahns, mjahns@mit.edu
Shavonna Bent, sbent@mit.edu

Examples

# View PtH2O2lipids annotation LOBSet
LOBSet <- PtH2O2lipids::ptH2O2lipids$LOBSet
LOB_viewdata(LOBSet)

hholm/LOB_tools documentation built on Jan. 28, 2024, 12:08 p.m.