Articles | Volume 18, issue 7
https://doi.org/10.5194/amt-18-1537-2025
https://doi.org/10.5194/amt-18-1537-2025
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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Interactive discussion

Status: closed

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on egusphere-2024-3047', Anonymous Referee #1, 07 Nov 2024
    • AC1: 'Reply on RC1', Valter Mickwitz, 20 Dec 2024
  • RC2: 'Comment on egusphere-2024-3047', Anonymous Referee #2, 07 Dec 2024
    • AC2: 'Reply on RC2', Valter Mickwitz, 20 Dec 2024

Peer review completion

AR: Author's response | RR: Referee report | ED: Editor decision | EF: Editorial file upload
AR by Valter Mickwitz on behalf of the Authors (20 Dec 2024)  Author's response   Author's tracked changes   Manuscript 
ED: Publish as is (24 Dec 2024) by Mingjin Tang
AR by Valter Mickwitz on behalf of the Authors (28 Jan 2025)  Manuscript 
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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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