correctLXneg: Species ratio correction for LipidXplorer identification...

In ohgane/ShotgunLipidomicsR: Utility Functions for Analysis/Visualization of ShotgunLipidomics Data.

Description

This function performs intensity correction based on intensities of precursor ion intensity and fatty acid anions. In a situation where there are several lipid species of the same m/z value but with different fatty acid compositions, this function allocates precursor ion intensity based on fatty acid fragment ion intensities.

Usage

correctLXneg(df, anID = NULL, precID = NULL, faID = NULL)

Arguments

df	A data frame. Result of LipidXplorer identification, without unnecessary lines. E.g., MFQL title lines that starts with ### should be removed.
anID	Numeric vector. Column indexes for annotation part of input data frame.
precID	Numeric vector. Column indexes for precursor ion intensities.
faID	Numeric vector. Column indexes for fatty acid anion intensities.

Value

A data frame with annotation part, corrected precursor intensities, and original fatty acid anion intensities.

References

Surma MA, Herzog R, Vasilj A, Klose C, Christinat N, Morin Rivron D, Simons K, Masoodi M & Sampaio JL (2015) An automated shotgun lipidomics platform for high throughput, comprehensive, and quantitative analysis of blood plasma intact lipids. European Journal of Lipid Science and Technology 117: 1540–1549

ohgane/ShotgunLipidomicsR documentation built on May 24, 2019, 11:55 a.m.