LipidMS (version 0.1.0)

sepByCE: 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.

Value

As many .mzXML files as different collision energies employed.

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).

Examples

Run this code
# NOT RUN {
# }
# NOT RUN {
sepByCE("input_file.mzXML", "output_file")
# }
# NOT RUN {
# }

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