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Fitting Cometary Sampling and Composition Mass Spectral Results Using Non-negative Least Squares: Reducing Detection Ambiguity for In Situ Solar System Organic Compound Measurements

Meringer, Markus and Giri, C. and Cleaves, H. James (2018) Fitting Cometary Sampling and Composition Mass Spectral Results Using Non-negative Least Squares: Reducing Detection Ambiguity for In Situ Solar System Organic Compound Measurements. ACS Earth and Space Chemistry, 2 (12), pp. 1256-1261. American Chemical Society (ACS). DOI: 10.1021/acsearthspacechem.8b00122 ISSN 2472-3452

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Official URL: https://pubs.acs.org/doi/10.1021/acsearthspacechem.8b00122

Abstract

The chemistry occurring in the universe generates a huge variety of organic compounds abiotically. Significant progress has been made in understanding the types and distributions of these compounds in various planetary, asteroidal, cometary, nebular, and molecular cloud environments. One of the most exciting recent discoveries was the detection of low-molecular-weight organic species native to the surface of comet 67P/Churyumov-Gerasimenko by the cometary sampling and composition experiment that was aboard the Philae lander of the European Space Agency. The identities of these species were estimated using a simple hand-fitting method. Here, we use a more rigorous statistical method to fit the same data and find that there is some variance between results obtained using the two methods. This paper offers recommendations to improve the numerical methods for fitting of mass spectra, which would lead to more confident identification of ambiguous-mass compounds. Such methods may also help maximize the gains of future sampling-driven space missions, to Europa, Titan, Mars and its moons, comets, and asteroids, by filling in gaps in current scientific knowledge regarding electron impact mass spectra of ambiguous-mass compounds.

Item URL in elib:https://elib.dlr.de/124018/
Document Type:Article
Title:Fitting Cometary Sampling and Composition Mass Spectral Results Using Non-negative Least Squares: Reducing Detection Ambiguity for In Situ Solar System Organic Compound Measurements
Authors:
AuthorsInstitution or Email of AuthorsAuthors ORCID iD
Meringer, MarkusMarkus.Meringer (at) dlr.dehttps://orcid.org/0000-0001-8526-2429
Giri, C.Max-Planck-Institute for Solar System Research, Göttingen & University of Nice, Nice, FranceUNSPECIFIED
Cleaves, H. JamesEarth-Life Science Institute, Tokyo Institute of TechnologyUNSPECIFIED
Date:23 October 2018
Journal or Publication Title:ACS Earth and Space Chemistry
Refereed publication:Yes
Open Access:No
Gold Open Access:No
In SCOPUS:Yes
In ISI Web of Science:Yes
Volume:2
DOI :10.1021/acsearthspacechem.8b00122
Page Range:pp. 1256-1261
Publisher:American Chemical Society (ACS)
ISSN:2472-3452
Status:Published
Keywords:cometary chemistry; COSAC; mass spectrometry; non-negative least squares; organic compounds; origins of life; solar system organic chemistry
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Space
HGF - Program Themes:Space Science and Exploration
DLR - Research area:Raumfahrt
DLR - Program:R EW - Erforschung des Weltraums
DLR - Research theme (Project):R - Projekt ROSETTA Instrumente, R - Projekt ROSETTA Lander
Location: Oberpfaffenhofen
Institutes and Institutions:Remote Sensing Technology Institute > Atmospheric Processors
Deposited By: Meringer, Dr.rer.nat. Markus
Deposited On:04 Dec 2018 12:42
Last Modified:08 Feb 2019 11:11

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