Linear MALDI-ToF simultaneous spectrum deconvolution and baseline removal.
Fiche publication
Date publication
avril 2018
Journal
BMC bioinformatics
Auteurs
Membres identifiés du Cancéropôle Est :
Mme TRUNTZER Caroline
Tous les auteurs :
Picaud V, Giovannelli JF, Truntzer C, Charrier JP, Giremus A, Grangeat P, Mercier C
Lien Pubmed
Résumé
Thanks to a reasonable cost and simple sample preparation procedure, linear MALDI-ToF spectrometry is a growing technology for clinical microbiology. With appropriate spectrum databases, this technology can be used for early identification of pathogens in body fluids. However, due to the low resolution of linear MALDI-ToF instruments, robust and accurate peak picking remains a challenging task. In this context we propose a new peak extraction algorithm from raw spectrum. With this method the spectrum baseline and spectrum peaks are processed jointly. The approach relies on an additive model constituted by a smooth baseline part plus a sparse peak list convolved with a known peak shape. The model is then fitted under a Gaussian noise model. The proposed method is well suited to process low resolution spectra with important baseline and unresolved peaks.
Mots clés
Baseline, Deconvolution, Mass spectrometry, Peak picking
Référence
BMC Bioinformatics. 2018 Apr 5;19(1):123