Bayesian deconvolution of mass and ion mobility spectra: from binary interactions to polydisperse ensembles.

ABSTRACT: Interpretation of mass spectra is challenging because they report a ratio of two physical quantities, mass and charge, which may each have multiple components that overlap in m/z. Previous approaches to disentangling the two have focused on peak assignment or fitting. However, the former struggle with complex spectra, and the latter are generally computationally intensive and may require substantial manual intervention. We propose a new data analysis approach that employs a Bayesian framework to separate the mass and charge dimensions. On the basis of this approach, we developed UniDec (Universal Deconvolution), software that provides a rapid, robust, and flexible deconvolution of mass spectra and ion mobility-mass spectra with minimal user intervention. Incorporation of the charge-state d

SUBMITTER: Marty MT 

PROVIDER: S-EPMC4594776 | biostudies-literature | 2015 Apr

REPOSITORIES: biostudies-literature