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  Significance of variables for discrimination: Applied to the search of organic ions in mass spectra measured on cometary particles

Varmuza, K., Filzmoser, P., Hoffmann, I., Walach, J., Cottin, H., Fray, N., et al. (2018). Significance of variables for discrimination: Applied to the search of organic ions in mass spectra measured on cometary particles. Journal of Chemometrics, 32(4): e3001. doi:10.1002/cem.3001.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0003-3244-8 Version Permalink: http://hdl.handle.net/21.11116/0000-0003-3245-7
Genre: Journal Article

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 Creators:
Varmuza, Kurt, Author
Filzmoser, Peter, Author
Hoffmann, Irene, Author
Walach, Jan, Author
Cottin, Hervé, Author
Fray, Nicolas, Author
Briois, Christelle, Author
Modica, Paola, Author
Bardyn, Anaïs, Author
Silén, Johan, Author
Siljeström, Sandra, Author
Stenzel, Oliver Joachim1, Author              
Kissel, Jochen1, Author              
Hilchenbach, Martin2, Author              
Affiliations:
1Department Planets and Comets, Max Planck Institute for Solar System Research, Max Planck Society, ou_1832288              
2MPI for Aeronomy, Max Planck Institute for Solar System Research, Max Planck Society, ou_1832291              

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 Abstract: 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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Language(s): eng - English
 Dates: 2019-03-192018
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1002/cem.3001
 Degree: -

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Title: Journal of Chemometrics
  Other : J. Chemometr.
Source Genre: Journal
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Affiliations:
Publ. Info: New York : Wiley
Pages: - Volume / Issue: 32 (4) Sequence Number: e3001 Start / End Page: - Identifier: ISSN: 0886-9383
CoNE: https://pure.mpg.de/cone/journals/resource/954925553387