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  • 1.
    Varmuza, Kurt
    et al.
    Vienna University of Technology, Austria.
    Filzmoser, Peter
    Vienna University of Technology, Austria.
    Hoffmann, Irene
    Vienna University of Technology, Austria.
    Walach, Jan
    Vienna University of Technology, Austria.
    Cottin, Herve
    Université Paris‐Est Créteil et Université Paris, France.
    Fray, Nicolas
    Université Paris‐Est Créteil et Université Paris, France.
    Briois, Christelle
    Université d'Orléans, France.
    Modica, Paola
    Université d'Orléans, France.
    Bardyn, Anais
    Carnegie Institution of Washington, USA.
    Silén, Johan
    Finnish Meteorological Institute, Finland.
    Siljeström, Sandra
    RISE - Research Institutes of Sweden, Bioscience and Materials, Chemistry and Materials.
    Stenzel, Oliver
    Max-Planck-Institute for Solar System Research, Germany.
    Kissel, Jochen
    Max-Planck-Institute for Solar System Research, Germany.
    Hilchenbach, Martin
    Max-Planck-Institute for Solar System Research, Germany.
    Significance of variables for discrimination: Applied to the search of organic ions in mass spectra measured on cometary particles2018In: Journal of Chemometrics, ISSN 0886-9383, E-ISSN 1099-128X, Vol. 32, no 4, article id e3001Article in journal (Refereed)
    Abstract [en]

    The instrument Cometary Secondary Ion Mass Analyzer (COSIMA) on board of the European Space Agency mission Rosetta to the comet 67P/Churyumov-Gerasimenko is a secondary ion mass spectrometer with a time-of-flight mass analyzer. It collected near the comet several thousand particles, imaged them, and analyzed the elemental and chemical compositions of their surfaces. In this study, variables have been generated from the spectral data covering the mass ranges of potential C-, H-, N-, and O-containing ions. The variable importance in binary discriminations between spectra measured on cometary particles and those measured on the target background has been estimated by the univariate t test and the multivariate methods discriminant partial least squares, random forest, and a robust method based on the log ratios of all variable pairs. The results confirm the presence of organic substances in cometary matter-probably a complex macromolecular mixture.

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