Articles | Volume 10, issue 6
Methods for assessment of models
 | Highlight paper
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


Interactive discussion

Status: closed
Status: closed
AC: Author comment | RC: Referee comment | SC: Short comment | EC: Editor comment
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Peer-review completion

AR: Author's response | RR: Referee report | ED: Editor decision
AR by Svenja Lange on behalf of the Authors (18 Apr 2017)  Author's response    Manuscript
ED: Publish as is (05 May 2017) by Alexander Archibald
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.