mz.groups {mzDeco} R Documentation

do ``m/z`` grouping under the given tolerance

Description

Usage

mz.groups(ms1,
    mzdiff = "ppm:20",
    rtwin = 0.05);

Arguments

ms1

a LCMS mzpack rawdata object or a collection of the ms1 point data

mzdiff

the mass tolerance error for extract the XIC from the rawdata set

rtwin

the rt tolerance window size for merge data points. [as double]

env

[as Environment]

Details

the ion mz value is generated via the max intensity point in each ion feature group, and the xic data has already been re-order via the time asc.

Authors

BioNovoGene

Value

create a list of XIC dataset for run downstream deconv operation

clr value class

Examples

 let rawdata = open.mzpack(file = "/path/to/rawdata.mzpack");
 let xic = mz.groups(ms1 = rawdata, mzdiff = "ppm:20");
 
 # export the XIC data as binary data file.
 writeBin(xic, con = "/path/to/xic_data.dat");
[Package mzDeco version 1.0.0.0 Index]