check13c: check13c

In crmclean/ms2sweeper: Finding and Retreiving Best Posible MS2 Spectra

Description

This function checks if the scan with the parent ion has a 13C feature. If it does, it remove the 13C feature from the scan window and combines the purity. The new table tells us if we need to fix the ms2 should be corrected for contamination.

Usage

check13c(windowData, ppm)

Arguments

windowData	- the mz intensity table making up the observations of a given mass spectra.
ppm	- error window used to identify 13C peaks

Value

The windowData table with an additional column used to indicate if the data has a 13C peak that could be contamination the ms2 scan.

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