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.

We developed an advanced algorithm for global retrieval of TROPOspheric Monitoring Instrument (TROPOMI) HCHO and NO₂ vertical column densities with much improved consistency. Sensitivity tests demonstrate the complexity and nonlinear interactions of auxiliary parameters in the air mass factor calculation. An improved agreement is found with measurements from a global ground-based instrument network. The scientific retrieval provides a useful source of information for studies combining HCHO and NO₂.

Information on the energy transported by atmospheric gravity waves (GWs) is crucial for improving atmosphere models. Most space-based studies report the potential energy. We use Aeolus wind data to estimate the kinetic energy (density). However, the data quality is a challenge for such analyses, as the accuracy of the data is in the range of typical GW amplitudes. We find a temporal coincidence between enhanced or breaking planetary waves and enhanced gravity wave kinetic energy density.