dataForPlotly: Function to generate data for interactive visulization

In daniellyz/MergeION2: Merging and Networking Scans from Multiple LC-MS/MS Raw Data Files

Function to generate data for interactive visulization

Description

Function to generate data for interactive visulization

Usage

dataForPlotly(
  input_library,
  id = NULL,
  type = c("complete", "consensus"),
  query_spectrum = NULL,
  t = 0.25,
  b = 10
)

Arguments

input_library	A list generated by the function library_generator() or the name of mgf/msp/RData spectral library file
id	Compound id of the spectra to be plotted (both most recent MS1 and MS2 spectra will be plotted!)
type	Character. "Complete" if raw specra are visualized. "Consensus" if consensus spectra are visualized
query_spectrum	Two-column data matrix. Optional for mirror plot. Two columns represent m/z and intensity of query tandem spectrum.
t	numeric value specifying the tolerance used to align the m/z values of the two spectra (used in calculating consine similarity score), 0.25 by default.
b	numeric value specifying the baseline threshold for peak identification. Expressed as a percent of the maximum intensity (used in calculating consine similarity score), 10 by default.

Value

a dataframe with m/z, intensity, ID and all the metadata columns from input_library metadata

Author(s)

Yingjie Zhang

daniellyz/MergeION2 documentation built on Feb. 12, 2025, 11:23 a.m.