sepByCE {LipidMS} | R Documentation |
Separation of .mzXML files from all-ions data by collision energy to work with them separately.
sepByCE(file, output)
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. |
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).
As many .mzXML files as different collision energies employed.
Be careful with input and output arguments. For example, "file.mzXML" would be the input argument and "file_sep" could be the output.
M Isabel Alcoriza-Balaguer <maialba@alumni.uv.es>
## Not run: sepByCE("input_file.mzXML", "output_file") ## End(Not run)