Please could somebody outline how the number of pcgroups are calculated and why a feature might be in the same pcgroup as another?

sneumann / CAMERA

This is the git repository matching the Bioconductor package CAMERA: Collection of annotation related methods for mass spectrometry data

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Please could somebody outline how the number of pcgroups are calculated and why a feature might be in the same pcgroup as another? #79

Closed Pembs closed 1 year ago

Pembs commented 1 year ago

I would be grateful if somebody could please direct me to a website which explains how the number of pcgroups are determined and why a feature might have the same pcgroup as another? I've been searching for a bit and haven't come across an explanation. Thank you

sneumann commented 1 year ago

Hi, please consult the following paper: Kuhl, C., Tautenhahn, R., Boettcher, C., Larson, T. R. and Neumann, S. CAMERA: an integrated strategy for compound spectra extraction and annotation of liquid chromatography/mass spectrometry data sets. Analytical Chemistry, 84:283-289 (2012) Yours, Steffen