2004
DOI: 10.1255/ejms.672
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A New Maximum Likelihood Approach with Asymmetric Residual Distribution for Multicomponent Mass Spectra Analysis

Abstract: This paper proposes a new maximum likelihood approach for the deconvolution of identity and quantity of individual compounds based on the multicomponent mass spectra measured by mass spectrometry (MS). Mixture analysis of multicomponent mass spectra is, typically, based on a linear multicomponent mass spectrum model, where the compounds of the measured spectra to be solved are explicitly stated and assumed to be known. In many cases, however, the measured spectrum may contain unknown compounds that are not exp… Show more

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Cited by 3 publications
(7 citation statements)
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“…MLME techniques applied over the narrow m/z range15, 16 have shown superior sensitivity to the signal detection in noise, since they usually rely on the well‐characterized noise model. In essence, both MLME deconvolution17, 18 and target filters,12 described here, involve curve fitting and error minimization. However, unlike target filters, MLME methods use multi‐parameter fitting for an entire spectrum with iterative optimization, which is not guaranteed to find a global optimum.…”
Section: Resultsmentioning
confidence: 99%
“…MLME techniques applied over the narrow m/z range15, 16 have shown superior sensitivity to the signal detection in noise, since they usually rely on the well‐characterized noise model. In essence, both MLME deconvolution17, 18 and target filters,12 described here, involve curve fitting and error minimization. However, unlike target filters, MLME methods use multi‐parameter fitting for an entire spectrum with iterative optimization, which is not guaranteed to find a global optimum.…”
Section: Resultsmentioning
confidence: 99%
“…Quantitation of measured compounds was made either using the MCD-mode of commercial Balzers QUADSTAR 422 Measurement-program or using SPECTACS program based on NALMS method. 17 FTIR Conditions. The Fourier transform infrared spectroscopic instrument used was a GASMET with CALCMETmeasurement program (GASMET Technologies Ltd., Helsinki, Finland) with the volume of the sample cell of 200 mL, the length of the optical path of 2.0 m, and the temperature of the sample cell of 100°C.…”
Section: Methodsmentioning
confidence: 99%
“…16,17 The algorithm fits the spectra of compounds from a spectral library to the measured multicomponent spectrum by minimizing the residual spectrum. In this way, it is possible to identify at least the major components of the sample.…”
Section: Introductionmentioning
confidence: 99%
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