buildIonTree: Build ion tree

In iontree: Data management and analysis of ion trees from ion-trap mass spectrometry

Description

build an ion tree derived from the specified m/z and RT ranges in one sample based on ms2 and ms3 raw data, see saveMSnRaw and hasMS2.

Usage

buildIonTree(mzRange = c(340.5, 341.5), rtRange = c(270, 282), ms2, ms3)

Arguments

mzRange	mz range
rtRange	rt range
ms2	ms2 data as list
ms3	ms3 data as list

Note

the full time range is used for direct infusion mass spectrometry. For instance, rtRange=c(0, 300) is used for 5-min total elution time.

Author(s)

Mingshu Cao

Examples

#mz=867 
#mzDelta=0.5
#mzRange=c(mz-mzDelta, mz+mzDelta)
#rtRange=c(1, 600)  
#hasMS2(MS2RAW, mzRange=c(mz-mzDelta, mz+mzDelta), rtRange=c(0, 600))  

#idx.ms2=1
#ms2=MS2RAW[[idx.ms2]]
#ms3=MS3RAW[[idx.ms2]]

#tree1=buildIonTree(mzRange, rtRange=c(0, 600), ms2, ms3)
#plot(tree1) 

iontree documentation built on May 2, 2018, 2:55 a.m.