Application of chemometrics on Raman spectra from Mars: Recent advances and future perspectives

Veneranda, Marco; Manrique, José Antonio; Sanz-Arranz, Aurelio; Gonzalez, None S. Julve; Garcia, C. Prieto; Sanchez, Elena Pascual; Konstantinidis, Menelaos; Charro, E.; López, José Manuel; González, Manuel Á.; Rull, Fernando; López‐Reyes, Guillermo

doi:10.1002/cem.3438

Cited by 2 publications

(2 citation statements)

References 108 publications

(148 reference statements)

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“…In addition to the point‐counting method, scientists have attempted to extract analyte concentration information from Raman spectroscopic characteristics and metrics (Veneranda et al., 2022). Such analyses frequently rely on the predictability of the observed intensity as a function of the concentration (Pelletier, 2003).…”

Section: Discussionmentioning

confidence: 99%

Quantitative Mineralogy of Planetary Silicate Ternary Mixtures Using Raman Spectroscopy

Ling

Liu

et al. 2023

Earth and Space Science

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A 532‐nm‐excited lunar Raman spectrometer (LRS) has been selected as a scientific payload of the Chang'e‐7 mission, exploring mineralogy assemblages in the lunar south polar region. However, the quantification of dark‐colored silicate minerals via Raman spectroscopy is an urgent requirement for upcoming Raman applications in future lunar and planetary explorations. Therefore, we conducted detailed laboratory studies on the Raman quantification of lunar silicate minerals using ternary mixtures of feldspar, olivine, and augite. Quantitative models were established employing the observed linear relationship between Raman integrated intensities and mineral proportions. The significant correlation coefficients (>0.94) and small RMSE (≤4.20 wt.%) confirmed the performance of these models. A series of methods (multipoint sampling, multispectral averaging, peak area extraction, and spectral parameter ratios) were jointly used to ensure that the models were not significantly affected by crystal orientation, chemical inhomogeneity, and instruments. Factors (σ2/σ1) describing the relative Raman scattering cross sections were introduced to calibrate the Raman counts. Our results indicated that the relative Raman scattering efficiency of feldspar, olivine, and augite is 1.4:2.4:1, which can be used to improve the quantitative accuracy of the point‐counting method if polymineralic mixing spectra are dominant. The models were validated across different samples using laboratory mixtures and lunar soil (CE5C0600). The lithology of the Chang'e‐5 soils is basaltic/gabbroic according to the quantitative mineralogy returned from our models that is consistent with the results from traditional methods. This research will be of particular significance for accurately determining the mineral abundances for Chang'e‐7 and other planetary missions. As such, crucial information can be inferred to understand the geological evolution of the exploration regions.

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Section: Discussionmentioning

confidence: 99%

Quantitative Mineralogy of Planetary Silicate Ternary Mixtures Using Raman Spectroscopy

Ling

Liu

et al. 2023

Earth and Space Science

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“…The research aims to enhance our understanding of how these models can predict elemental compositions in specific LiBS datasets. Application of chemometrics on Raman spectra from Mars: Recent advances and future perspectives 2 The ERICA research group is leveraging laboratory simulators of the SuperCam and RLS, key instruments onboard NASA's Perseverance and ESA's Rosalind Franklin rovers, respectively, to optimize the analysis of Raman spectra collected from Mars. These instruments are crucial for capturing the first‐ever Raman spectra from another planet and Mars' subsurface.…”

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confidence: 99%

Planetary and space science special issue

Lalla

Konstantinidis

2023

Journal of Chemometrics

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Today more than ever, space science is a vibrant and exciting field. The Mars 2020 Perseverance Rover took off and landed at the height of the Covid-19 pandemic, and the scientific results of its payload are already paying dividends to the scientific community. Meanwhile on Earth, scientific development, far from having halted, remains as active as ever before, albeit with some hiccups over the last 3 years due to restrictions. Nevertheless, the scientific community, and more specifically, the space science community, has remained steadfast in its pursuit of knowledge. And at the core of this pursuit is the ever-growing field of chemometrics.This special issue, published in the Journal of Chemometrics, coincided with the onset of the Covid-19 pandemic. We had our twists and turns, yet the work that has emerged over the last 3 years is nothing short of extraordinary. Tremendous talent has filled the pages of this issue, ranging from reviews of the literature to cutting edge methods at the intersection of chemometrics and space science. The papers in this collection offer insight into selected experiments in spectroscopy and chemometrics, highlighting selected findings for space exploration. They are organized as follows. A Raman spectroscopy-compositional-structural investigation of lunar surface materials and analogues 3This study focuses on the investigation of Raman spectroscopy of 35 lunar-relevant rock and mineral samples, including pyroxenes, olivine, plagioclase feldspars, and oxides. By analyzing the Raman spectra in relation to their compositional and structural properties, the research developed strong correlations for detecting these minerals on the lunar surface. A spectral deconvolution program was developed and implemented to model the fluorescence background and extract Raman peak positions. Specific correlations were discovered between the Raman peak positions and the compositions of pyroxenes and olivines. The study also explored the Raman signatures of plagioclase and oxides. The established

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Application of chemometrics on Raman spectra from Mars: Recent advances and future perspectives

Cited by 2 publications

References 108 publications

Quantitative Mineralogy of Planetary Silicate Ternary Mixtures Using Raman Spectroscopy

Quantitative Mineralogy of Planetary Silicate Ternary Mixtures Using Raman Spectroscopy

Planetary and space science special issue

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