Atmospheric Measurement Techniques
Atmospheric Measurement Techniques
AMT
Articles | Volume 18, issue 7
Articles | Volume 18, issue 7
https://doi.org/10.5194/amt-18-1537-2025
© Author(s) 2025. This work is distributed under
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/amt-18-1537-2025
© Author(s) 2025. This work is distributed under
the Creative Commons Attribution 4.0 License.
Articles | Volume 18, issue 7
Research article
 | 
03 Apr 2025
Research article |  | 03 Apr 2025

An algorithm for automatic fitting and formula assignment in atmospheric mass spectra

Valter Mickwitz, Otso Peräkylä, Frans Graeffe, Douglas Worsnop, and Mikael Ehn

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Short summary
This work presents and evaluates an algorithm that automatically conducts the steps of fitting peaks and identifying formulas – necessary but time-consuming steps for most applications of mass spectrometry in atmospheric science. The aim of the algorithm is to save researchers working on these tasks significant amounts of time and allow them to proceed with their analysis. The work demonstrates that this algorithm can achieve the goal of speeding up analysis and provide accurate formulas.
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