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Mathematical Modelling and Data Analysis

Department 8.4

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Title: Comparison and assessment of procedures for calculating the R(12) line strength of the ν1 + 2 ν2 + ν3 band of CO2
Author(s): G. Wübbeler, G. J. Padilla Viquez, K. Jousten, O. Werhahn and C. Elster
Journal: The Journal of Chemical Physics
Year: 2011
Volume: 135
Issue: 20
Pages: 204304
AIP Publishing
DOI: 10.1063/1.3662134
ISBN: doi:10.1063/1.3662134
ISSN: 1089-7690
Web URL: http://scitation.aip.org/content/aip/journal/jcp/135/20/10.1063/1.3662134
Tags: 8.42
Abstract: Recently, results for the CO(2) R(12) line strength parameter have been reported, which differ significantly and are inconsistent with respect to quoted uncertainties. We investigate to what extent this inconsistency might be caused by the chosen data analysis methods. To this end, we assess and compare a parametric fitting procedure and a non-parametric approach. We apply the methods to simulated and measured line spectra, and we specify the conditions required for the safe application of the two procedures. For our present data, the corresponding conditions are satisfied for both methods, and consistent results are obtained. However, the simulations reveal that the fitting procedure can show shortcomings when the uncertainty in the wavenumber is large.

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