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Geoscientific Instrumentation, Methods and Data Systems An interactive open-access journal of the European Geosciences Union

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Geosci. Instrum. Method. Data Syst., 4, 139-148, 2015
https://doi.org/10.5194/gi-4-139-2015
© Author(s) 2015. This work is distributed under
the Creative Commons Attribution 3.0 License.
Research article
30 Jun 2015
Analysis of COSIMA spectra: Bayesian approach
H. J. Lehto1, B. Zaprudin1, K. M. Lehto2, T. Lönnberg3, J. Silén4, J. Rynö4, H. Krüger5, M. Hilchenbach5, and J. Kissel5 1Tuorla Observatory, Department of Physics and Astronomy, University of Turku, Väisäläntie 20, 21500 Piikkiö, Finland
2Molecular Plant Biology, Department of Biochemistry, University of Turku, 20014 Turku, Finland
3Organic Chemistry, Department of Chemistry, University of Turku, 20014 Turku, Finland
4Finnish Meteorological Institute, Erik Palmenin aukio 1, PB 503, 00101 Helsinki, Finland
5Max Planck Institute for Solar System Research, Justus-von-Liebig-Weg 3, 37077 Göttingen, Germany
Abstract. We describe the use of Bayesian analysis methods applied to time-of-flight secondary ion mass spectrometer (TOF-SIMS) spectra. The method is applied to the COmetary Secondary Ion Mass Analyzer (COSIMA) TOF-SIMS mass spectra where the analysis can be broken into subgroups of lines close to integer mass values. The effects of the instrumental dead time are discussed in a new way. The method finds the joint probability density functions of measured line parameters (number of lines, and their widths, peak amplitudes, integrated amplitudes and positions). In the case of two or more lines, these distributions can take complex forms. The derived line parameters can be used to further calibrate the mass scaling of TOF-SIMS and to feed the results into other analysis methods such as multivariate analyses of spectra. We intend to use the method, first as a comprehensive tool to perform quantitative analysis of spectra, and second as a fast tool for studying interesting targets for obtaining additional TOF-SIMS measurements of the sample, a property unique to COSIMA. Finally, we point out that the Bayesian method can be thought of as a means to solve inverse problems but with forward calculations, only with no iterative corrections or other manipulation of the observed data.

Citation: Lehto, H. J., Zaprudin, B., Lehto, K. M., Lönnberg, T., Silén, J., Rynö, J., Krüger, H., Hilchenbach, M., and Kissel, J.: Analysis of COSIMA spectra: Bayesian approach, Geosci. Instrum. Method. Data Syst., 4, 139-148, https://doi.org/10.5194/gi-4-139-2015, 2015.
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