Developing Tailored Data Combination Strategies to Optimize the SuperCam Classification of Carbonate Phases on Mars

The SuperCam instrument onboard the Mars 2020 Perseverance rover investigates Martian geological targets by a combination of multiple spectroscopic techniques. As Raman, Visible-Infrared Spectroscopy, and Laser-Induced Breakdown Spectroscopy (LIBS) spectra deliver complementary information about the interrogated sample, the multivariate analysis of combined spectroscopic data sets is here proposed as a tool to optimize the SuperCam capability to discriminate mineral phases on Mars. For this purpose, the laboratory study of carbonate phases within the Ca-Mg-Fe ternary system were selected as representative case of study. After the characterization of model samples, the discrimination capability of mono analytical Raman, VISIR, and LIBS data sets was evaluated by applying a chemometric approach based on the combination of principal component analysis (for sample clustering) and Linear Discriminant Analysis (for mineral classification). Afterward, the low-level combination (LL) of Raman, VISIR, and LIBS data was achieved by concatenating their spectra into a single data matrix. The mineral classification achieved by LL data sets outperformed the mono analytical ones, thus proving the complementarity between molecular and elemental spectroscopic techniques. Mineral classification was further improved by using a mid-level data combination strategy. After evaluating benefits and limitations afforded by the proposed combination strategies, future developments are finally outlined. As such, the final objective of this research line is to develop a classification model based on data combination to optimize the capability of SuperCam in discriminating relevant minerals on Mars, this being a key requirement for the selection of the optimal targets to be cached for the future Mars Sample Return Mission.Plain Language Summary The SuperCam instrument onboard the Perseverance rover is capable of analyzing Martian rocks and soils by a combination of Laser-Induced Breakdown Spectroscopy (LIBS), Raman and Visible-Infrared Spectroscopy (VISIR). Learning from terrestrial applications, the complementary information provided by the three spectroscopic techniques can be correlated to obtain a more accurate interpretation of the analyzed target. This approach could be particularly useful to discriminate carbonates, which are interesting minerals where to look for traces of past life. Having this in mind, several carbonate samples have been analyzed with laboratory Raman, LIBS, and VISIR instrument. After evaluating the advantages and limitations of each technique, their data were merged by using low-level and mid-level strategies that were successfully used previous works. This work proved that, when spectra are combined, the discrimination of carbonate phases is more accurate than when each technique is interpreted separately. This suggests the scientific results obtained by SuperCam on Mars could benefit from the development of tailored classification models based on data combination.