adductAnnotation: adductAnnotation

In prafols/rMSIproc: MSI Processing in C++

Description

Given the monoisotopic ions found by the isotopes test, founds the possible adduct pairs considering the elements in the adductDataFrame.

Usage

adductAnnotation(isotopeObj, PeakMtx, adductDataFrame, tolerance)

Arguments

isotopeObj	List. Results from the isotopes test.
PeakMtx	List. An rMSIprocPeakMatrix. Must contain at least the following categories: PeakMtx$intensity. A matrix containg the intensities of the peaks for each pixel (rows = pixels, cols = peaks). PeakMtx$mass. A vector containg the masses of each peak. Must be in the same order with the columns of the intensity marix. PeakMtx$numPixels. Number of pixels (rows in your matrix).
adductDataFrame	Data frame with two columns. $name, with the names of adducts to be found, $mass, with each masses.
tolerance	Integer. Mass error tolerance in ppm.

Value

A list containing the results of the test and other kind of information.

prafols/rMSIproc documentation built on Dec. 12, 2021, 7:31 p.m.