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One of the main difficulties to analyze modern spectroscopic datasets is due to the large amount of data. For example, in atmospheric transmittance spectroscopy, the solar occultation channel (SO) of the NOMAD instrument onboard the ESA ExoMars2016 satellite called Trace Gas Orbiter (TGO) had produced $\sim$10 millions of spectra in 20000 acquisition sequences since the beginning of the mission in April 2018 until 15 January 2020. Other datasets are even larger with $\sim$billions of spectra for OMEGA onboard Mars Express or CRISM onboard Mars Reconnaissance Orbiter. Usually, new lines are discovered after a long iterative process of model fitting and manual residual analysis. Here we propose a new method based on unsupervised machine learning, to automatically detect new minor species. Although precise quantification is out of scope, this tool can also be used to quickly summarize the dataset, by giving few endmembers ("source") and their abundances. We approximate the dataset non-linearity by a linear mixture of abundance and source spectra (endmembers). We used unsupervised source separation in form of non-negative matrix factorization to estimate those quantities. Several methods are tested on synthetic and simulation data. Our approach is dedicated to detect minor species spectra rather than precisely quantifying them. On synthetic example, this approach is able to detect chemical compounds present in form of 100 hidden spectra out of $10^4$, at 1.5 times the noise level. Results on simulated spectra of NOMAD-SO targeting CH$_{4}$ show that detection limits goes in the range of 100-500 ppt in favorable conditions. Results on real martian data from NOMAD-SO show that CO$_{2}$ and H$_{2}$O are present, as expected, but CH$_{4}$ is absent. Nevertheless, we confirm a set of new unexpected lines in the database, attributed by ACS instrument Team to the CO$_{2}$ magnetic dipole., Comment: 26 pages, 10 figures

Observations of water ice clouds and aerosols on Mars can provide important insights into the complexity of the water cycle. Recent observations have indicated an important link between dust activity and the water cycle, as intense dust activity can significantly raise the hygropause, and subsequently increase the escape of water after dissociation in the upper atmosphere. Here present observations from NOMAD/TGO that investigate the variation of water ice clouds in the perihelion season of Mars Year 34 (April 2018-19), their diurnal and seasonal behavior, and the vertical structure and microphysical properties of water ice and dust. These observations reveal the recurrent presence of a layer of mesospheric water ice clouds subsequent to the 2018 Global Dust Storm. We show that this layer rose from 45 to 80 km in altitude on a timescale of days from heating in the lower atmosphere due to the storm. In addition, we demonstrate that there is a strong dawn dusk asymmetry in water ice abundance, related to nighttime nucleation and subsequent daytime sublimation. Water ice particle sizes are retrieved consistently and exhibit sharp vertical gradients (from 0.1 to 4.0 um), as well as mesospheric differences between the Global Dust Storm (<0.5 um) and the 2019 regional dust storm (1.0 um), which suggests differing water ice nucleation efficiencies. These results form the basis to advance our understanding of mesospheric water ice clouds on Mars, and further constrain the interactions between water ice and dust in the middle atmosphere., Comment: Submitted to Journal of Geophysical Research - Planets. 36 pages, 9 figures, 1 table

The Nadir and Occultation for MArs Discovery instrument (NOMAD), onboard the ExoMars Trace Gas Orbiter (TGO) spacecraft was conceived to observe Mars in solar occultation, nadir, and limb geometries, and will be able to produce an outstanding amount of diverse data, mostly focused on properties of the atmosphere. The infrared channels of the instrument operate by combining an echelle grating spectrometer with an Acousto-Optical Tunable Filter (AOTF). Using in-flight data, we characterized the instrument performance and parameterized its calibration. In particular: an accurate frequency calibration was achieved, together with its variability due to thermal effects on the grating. The AOTF properties and transfer function were also quantified, and we developed and tested a realistic method to compute the spectral continuum transmitted through the coupled grating + AOTF system. The calibration results enabled unprecedented insights into the important problem of the sensitivity of NOMAD to methane abundances in the atmosphere. We also deeply characterized its performance under realistic conditions of varying aerosol abundances, diverse albedos and changing illumination conditions as foreseen over the nominal mission. The results show that, in low aerosol conditions, NOMAD single spectrum, 1-sigma sensitivity to CH4 is around 0.33 ppbv at 20 km of altitude when performing solar occultations, and better than 1 ppbv below 30 km. In dusty conditions, we show that the sensitivity drops to 0 below 10 km. In Nadir geometry, results demonstrate that NOMAD will be able to produce seasonal maps of CH4 with a sensitivity around 5 ppbv over most of planet's surface with spatial integration over 5x5 degrees bins. Results show also that such numbers can be improved by a factor of 10 to 30 by data binning. Overall, our results quantify NOMAD's capability to address the variable aspects of Martian climate.

The spectral position of the 3.6 micron continuum peak measured on Cassini-VIMS I/F spectra is used as a marker to infer the temperature of the regolith particles covering the surfaces of Saturn's icy satellites. This feature is characterizing the crystalline water ice spectrum which is the dominant compositional endmember of the satellites' surfaces. Laboratory measurements indicate that the position of the 3.6 micron peak of pure water ice is temperature-dependent, shifting towards shorter wavelengths when the sample is cooled, from about 3.65 micron at T=123 K to about 3.55 micron at T=88 K. A similar method was already applied to VIMS Saturn's rings mosaics to retrieve ring particles temperature (Filacchione et al., 2014). We report here about the daytime temperature variations observed on the icy satellites as derived from three different VIMS observation types. Temperature maps are built by mining the complete VIMS dataset collected in years 2004-2009 (pre-equinox) and in 2009-2012 (post equinox) by selecting pixels with max 150 km/pixel resolution. VIMS-derived temperature maps allow to identify thermal anomalies across the equatorial lens of Mimas and Tethys., Comment: 42 pages, 15 figures. Accepted for publication in Icarus journal on February 8th 2016

Consideration is given to a visible and infrared mapping spectrometer (VIMS) developed by American, Italian, and French scientists and engineers as a facility instrument for the Comet Rendezvous Asteroid Flyby (CRAF) mission and as a candidate facility instrument for the Cassini mission to explore Saturn and its rings and moons. VIMS is characterized by 0.35-5.2 micron spectral range with a nominal spatial resolution of 0.5 mrad and spectral resolutions of 7 nm at 0.35-1.0 micron wavelength and 16 nm at 1.0-5.2 micron wavelength.