Eliminating Artifacts in Electrospray Deconvolution with a SoftMax Function
AuthorMarty, Michael T
AffiliationUniv Arizona, Dept Chem & Biochem
MetadataShow full item record
CitationMarty, M.T. J. Am. Soc. Mass Spectrom. (2019) 30: 2174. https://doi.org/10.1007/s13361-019-02286-4
RightsCopyright © American Society for Mass Spectrometry 2019
Collection InformationThis item from the UA Faculty Publications collection is made available by the University of Arizona with support from the University of Arizona Libraries. If you have questions, please contact us at firstname.lastname@example.org.
AbstractUniDec provides a rapid and robust approach to deconvolving electrospray mass spectra into their corresponding mass and charge components. However, the UniDec algorithm can produce artifacts depending on the quality and complexity of the data. Here, a SoftMax function is applied to the charge state distribution of each data point, which pushes the algorithm towards assigning each data point to one primary charge state. As shown for several data sets of increasing complexity, the SoftMax function significantly reduces deconvolution artifacts, even for data with overlapping charge states.
Note12 month embargo; published online: 7 August 2019
VersionFinal accepted manuscript
SponsorsScience Foundation Arizona; American SocietyAmerican Cancer Society; National Science FoundationNational Science Foundation (NSF) [CHE-1845230]; National Institute of General Medical Sciences and National Institutes of Health [R35 GM128624]
- Parsimonious Charge Deconvolution for Native Mass Spectrometry.
- Authors: Bern M, Caval T, Kil YJ, Tang W, Becker C, Carlson E, Kletter D, Sen KI, Galy N, Hagemans D, Franc V, Heck AJR
- Issue date: 2018 Mar 2
- MetaUniDec: High-Throughput Deconvolution of Native Mass Spectra.
- Authors: Reid DJ, Diesing JM, Miller MA, Perry SM, Wales JA, Montfort WR, Marty MT
- Issue date: 2019 Jan
- Bayesian deconvolution of mass and ion mobility spectra: from binary interactions to polydisperse ensembles.
- Authors: Marty MT, Baldwin AJ, Marklund EG, Hochberg GK, Benesch JL, Robinson CV
- Issue date: 2015 Apr 21
- A Universal Score for Deconvolution of Intact Protein and Native Electrospray Mass Spectra.
- Authors: Marty MT
- Issue date: 2020 Mar 17
- Optimisation of the use of sliding window deconvolution for comprehensive characterisation of trastuzumab and adalimumab charge variants by native high resolution mass spectrometry.
- Authors: Millán-Martín S, Carillo S, Füssl F, Sutton J, Gazis P, Cook K, Scheffler K, Bones J
- Issue date: 2021 Jan