Eliminating Artifacts in Electrospray Deconvolution with a SoftMax Function
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Final Accepted Manuscript
Author
Marty, Michael TAffiliation
Univ Arizona, Dept Chem & BiochemIssue Date
2019-08-07
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SPRINGERCitation
J. Am. Soc. Mass Spectrom. 2019, 30, 10, 2174-2177Rights
Copyright © American Society for Mass Spectrometry, 2019.Collection Information
This 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 repository@u.library.arizona.edu.Abstract
UniDec 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.Note
12 month embargo; published online: 7 August 2019ISSN
1044-0305PubMed ID
31392700Version
Final accepted manuscriptae974a485f413a2113503eed53cd6c53
10.1007/s13361-019-02286-4
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