Eliminating Artifacts in Electrospray Deconvolution with a SoftMax Function
AuthorMarty, Michael T
AffiliationUniv Arizona, Dept Chem & Biochem
MetadataShow full item record
CitationJ. Am. Soc. Mass Spectrom. 2019, 30, 10, 2174-2177
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