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
2 stars 0 forks source link

Peaks near the border of a bin are split #11

Open elliotfontaine opened 3 months ago

elliotfontaine commented 3 months ago

During feature extraction, some peaks located at either end of bins can get split because of how binning works. Intensity is lower than it should be.

BinneR gives a quality control metrics, "centrality", that can help mitigate this issue. If two neighbor bins have low centrality and assigned m/z values that are very close, then they should be merged: drop one on the two values, and sum the intensity.