Articles | Volume 20, issue 2
https://doi.org/10.5194/acp-20-1021-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-20-1021-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
27 Jan 2020
Research article |
| 27 Jan 2020
| 27 Jan 2020
Dimensionality-reduction techniques for complex mass spectrometric datasets: application to laboratory atmospheric organic oxidation experiments
Abigail R. Koss
CORRESPONDING AUTHOR
Massachusetts Institute of Technology, Department of Civil and
Environmental Engineering, Cambridge, MA, USA
now at: Tofwerk USA, Boulder, CO, USA
Manjula R. Canagaratna
Aerodyne Research Incorporated, Billerica, MA, USA
Alexander Zaytsev
Harvard University, Paulson School of Engineering and Applied
Sciences, Cambridge, MA, USA
Jordan E. Krechmer
Aerodyne Research Incorporated, Billerica, MA, USA
Martin Breitenlechner
Harvard University, Paulson School of Engineering and Applied
Sciences, Cambridge, MA, USA
Kevin J. Nihill
Massachusetts Institute of Technology, Department of Civil and
Environmental Engineering, Cambridge, MA, USA
Christopher Y. Lim
Massachusetts Institute of Technology, Department of Civil and
Environmental Engineering, Cambridge, MA, USA
James C. Rowe
Massachusetts Institute of Technology, Department of Civil and
Environmental Engineering, Cambridge, MA, USA
Joseph R. Roscioli
Aerodyne Research Incorporated, Billerica, MA, USA
Frank N. Keutsch
Harvard University, Paulson School of Engineering and Applied
Sciences, Cambridge, MA, USA
Jesse H. Kroll
Massachusetts Institute of Technology, Department of Civil and
Environmental Engineering, Cambridge, MA, USA
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Latest update: 22 Apr 2024
Short summary
Oxidation chemistry of organic compounds in the atmosphere produces a diverse spectrum of products. This diversity is difficult to represent in air quality and climate models, and in laboratory experiments it results in large and complex datasets. This work evaluates several methods to simplify the chemistry of oxidation systems in environmental chambers, including positive matrix factorization, hierarchical clustering analysis, and gamma kinetics parameterization.
Oxidation chemistry of organic compounds in the atmosphere produces a diverse spectrum of...
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