Comment on the uncertainties in isotope patterns of molecules

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DOIResolve DOI: http://doi.org/10.1016/j.aca.2010.09.029
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TypeArticle
Journal titleAnalytica Chimica Acta
ISSN0003-2670
Volume694
Issue1-Feb
Pages174176; # of pages: 3
SubjectAnalytical solutions; Computational approach; Error propagation; Error propagation model; First-order; Isotope pattern; Natural variation; Second-order; Uncertainty evaluation; Mass spectrometry; Isotopes; carbon; hydrogen; isotope; nitrogen; oxygen; sulfur; analytical error; analytical parameters; article; mass spectrometry; mathematical model; priority journal; quantitative analysis; uncertainty
AbstractHere we outline several misconceptions and caveats in the uncertainty evaluation of isotope patterns of molecules, most notably the failure of the traditional first-order error propagation models in certain situations. We also demonstrate that many of the questions regarding the uncertainty evaluation of molecular isotope patterns have direct analytical solutions that do not require elaborate computational approaches. © 2010.
Publication date
LanguageEnglish
AffiliationNational Research Council Canada (NRC-CNRC); NRC Institute for National Measurement Standards (INMS-IENM)
Peer reviewedYes
NPARC number21271365
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Record identifier1d836488-6444-4ccb-a2c7-e5e25d982b58
Record created2014-03-24
Record modified2016-05-09
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