MetaboHUB-MetaToul-FluxoMet / RTMet

RTMet is a data workflow to process FIA-MS data coming from a bioreactor, find metabolites and fluxes, and send a feedback command to the system.
https://rtmet.readthedocs.io
GNU General Public License v3.0
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BinneR doesn't correctly detect the injection scans range #15

Closed elliotfontaine closed 2 months ago

elliotfontaine commented 3 months ago

Issue:

If there is overpressure at the start or the end of a spectrometer run, binneR scan filtering might not work properly because the TIC maximum won't be the sample.

231202032_hepatotwin_MHE_FIA_milieuWOserum_d8_11 infusion_scans

Solution:

Add a trim_spectrum task after mzml conversion, and expose to the user head and tail parameters, which are the number of scans to cut at the start and end of the spectrum.

elliotfontaine commented 2 months ago

pyOpenMS could be used for the trimming task.