sepByCE {LipidMS}R Documentation

Separate .mzXML files by CE

Description

Separation of .mzXML files from all-ions data by collision energy to work with them separately.

Usage

sepByCE(file, output)

Arguments

file

path of the input .mzXML file

output

a unique character value indicating the name of the output files. The energy employed and .mzXML will be added automatically to each file.

Details

This function has been designed based on mzXML files obtained from .d files (Agilent) using msConvert tool, in which we can find the collision energy information. In addition to separate files by collision energies, this function also changes the MS level of the high energy scans from 2 to 1 allowing their treatment (peak-picking for each collision energy, alignment, i.e) with common software (xcms, mzMine2, enviPick, etc).

Value

As many .mzXML files as different collision energies employed.

Note

Be careful with input and output arguments. For example, "file.mzXML" would be the input argument and "file_sep" could be the output.

Author(s)

M Isabel Alcoriza-Balaguer <maialba@alumni.uv.es>

Examples


## Not run: 
sepByCE("input_file.mzXML", "output_file")

## End(Not run)


[Package LipidMS version 1.2.0 Index]