Articles | Volume 10, issue 6
https://doi.org/10.5194/gmd-10-2365-2017
https://doi.org/10.5194/gmd-10-2365-2017
Methods for assessment of models
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27 Jun 2017
Methods for assessment of models | Highlight paper |  | 27 Jun 2017

STRAPS v1.0: evaluating a methodology for predicting electron impact ionisation mass spectra for the aerosol mass spectrometer

David O. Topping, James Allan, M. Rami Alfarra, and Bernard Aumont

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Short summary
Our ability to model the chemical and thermodynamic processes that lead to secondary organic aerosol (SOA) formation is thought to be hampered by the complexity of the system. In this proof of concept study, the ability to train supervised methods to predict electron impact ionisation (EI) mass spectra for the AMS is evaluated to facilitate improved model evaluation. The study demonstrates the use of a methodology that would be improved with more training data and data from simple mixed systems.