harvestMS2: harvestMS2

Description Usage Arguments Value

View source: R/harvestMs2s.R

Description

This function connects all MS2 scans belonging to a single feature within a single data sample. It returns the sweeperObj with a slot for the parent ions and a slot for the merged MS2s filled up. It also does a 13C correction of the MS2s if a 13C peak is detected within the parent ion's scan.

Usage

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harvestMS2(sweeperObj, ppm = 5, rtError = 15, isoWindow = 2,
  cores = 3, clearData = TRUE, mzDiff = 0.5)

Arguments

sweeperObj

- object containing all MS2 data that will be mined.

ppm

- Error window for features.

rtError

- Time window to check for matches in rt betwee parent ions from XCMS and those from the MS2 fragment table.

isoWindow

- isolation window for MS2s

cores

- number of cores to use during harvest function.

clearData

- Boolean. Deletes raw data from sweepersObj. Good to reduce amount of memory taken up by sweeperObj.

mzDiff

- mz error window used to group peaks from spectra together. that belong to the same features but come in different scans.

Value

sweeperObj with slots for parents and daughters filled.


crmclean/ms2sweeper documentation built on May 22, 2019, 2:44 p.m.