checkANNOTATION-massFlowAnno-method: Check annotation results between selected database chemical...

In lauzikaite/massflowR: LC-MS Data Pre-Processing

Description

Method returns summary plots of annotation between the selected chemical compound and pseudo chemical spectra in the dataset. If out_dir is provided, generated plots are written as png files. Otherwise, plots are plotted on current graphical device. massFlowAnno class object must be annotated using annotateDS method first.

Usage

## S4 method for signature 'massFlowAnno'
checkANNOTATION(object, chemid = NULL, pcs = NULL, out_dir = NULL)

Arguments

object	massFlowAnno class object.
chemid	numeric specifying one chemical compound id to look at.
pcs	numeric specifying one pseudo chemical spectra to look at.
out_dir	character specifying desired directory for output.

Value

Method returns two plots and write a csv file: (1) spectra of the selected chemical compound and pseudo chemical spectra from the dataset; (2) retention time of the selected chemical compound and pseudo chemical spectra from the dataset; (3) table with the selected compound and pseudo chemical spectra.

lauzikaite/massflowR documentation built on April 27, 2020, 5:32 p.m.