library_visualizer: Visualize selected mass spectra in the spectral library

In daniellyz/MergeION: Merge Scans from Multiple LC-MS/MS Raw Data Files

Visualize selected mass spectra in the spectral library

Description

The function plots mass spectra of selected compound in a library

Usage

library_visualizer(library, id = library$metadata$ID[1], png.out = F,
  show.legend = T)

Arguments

library	A list generated by the function library_generator() or library_similarity()$SELECTED
id	Compound id of the spectra to be plotted (both most recent MS1 and MS2 spectra will be plotted!)
png.out	Boolean. True if plotted spectra are exported as png images!

Examples

data(DRUG_THERMO_LIBRARY)

# Search library using query command lines:
query = library_manager(library2,query=c("IONMODE=Positive","RT=1.2"), logical="AND", rt_search=6)

# Visualize the first compound found:
library_visualizer(query$SELECTED, id = query$ID_SELECTED[1])

daniellyz/MergeION documentation built on Oct. 19, 2022, 1:56 p.m.