Characterising the composition of olivine and iron oxides in a sample of the Sericho meteorite by Raman spectroscopy using Principal Component Analysis - 2025
Characterising the composition of olivine and iron oxides in a sample of the Sericho meteorite by Raman spectroscopy using Principal Component Analysis
[en] Raman spectroscopy is a key technique for planetary exploration, providing mineralogical insights under strict constraints on power, mass, and data transmission. This study applies Principal Component Analysis (PCA) to Raman imaging data from the Sericho pallasite meteorite, composed mainly of Mg-rich olivine and Fe-Ni alloy. PCA efficiently reduced the complex dataset to only five principal components retaining most of the molecular information. Using PCA scores, averaged Raman spectra were calculated to significantly simplifying spectral interpretation, highlighting olivine as the dominant mineral and goethite, disordered hematite as well as disordered carbon as minor phases in the sample. In addition, PCA scores associated with the x-y coordinate of the Raman image enables identifying distinct mineralogical domains revealing the spatial distribution of iron oxyhydroxides primarily at interfaces and fractures of the olivine inclusions. Additionally, PCA-filtered spectra enabled spatially resolved quantification of olivine composition, showing a 5–10% magnesium enrichment in olivine cores compared to interfaces with iron oxyhydroxides, suggesting weathering origins of the Fe-Ni alloy. These results demonstrate the strong potential of PCA for data reduction, visualization, and interpretation of complex Raman datasets, making it a powerful tool for in situ mineralogical analysis during future robotic or human planetary missions where fast real-time data processing is key for informed decision-making.
Disciplines :
Physical, chemical, mathematical & earth Sciences: Multidisciplinary, general & others
Author, co-author :
Malherbe, Cédric ; Université de Liège - ULiège > Département de chimie (sciences) > Chimie analytique inorganique
Hutchinson, Ian; University of Leicester > Department of Physics and Astronomy
Lerman, Hannah; University of Leicester > Department of Physics and Astronomy
McHugh, Melissa; University of Leicester > Department of Physics and Astronomy
Eppe, Gauthier ; Université de Liège - ULiège > Département de chimie (sciences) > Laboratoire de spectrométrie de masse (L.S.M.)
Language :
English
Title :
Characterising the composition of olivine and iron oxides in a sample of the Sericho meteorite by Raman spectroscopy using Principal Component Analysis
Publication date :
10 July 2025
Journal title :
Journal of Raman Spectroscopy
ISSN :
0377-0486
eISSN :
1097-4555
Publisher :
John Wiley & Sons, Hoboken, United States - New York
R. C. Wiens, S. Maurice, S. H. Robinson, et al., “The SuperCam Instrument Suite on the NASA Mars 2020 Rover: Body Unit and Combined System Tests,” Space Science Reviews 217, no. 1 (2021): 1–87, https://doi.org/10.1007/s11214-020-00777-5.
L. Beegle, R. Bhartia, M. White, et al., “SHERLOC: Scanning Habitable Environments With Raman & Luminescence for Organics & Chemicals,” IEEE Aerospace Conference Proceedings (2015): 1–11, https://doi.org/10.1109/AERO.2015.7119105.
F. Rull, S. Maurice, I. Hutchinson, et al., “The Raman Laser Spectrometer for the ExoMars Rover Mission to Mars,” Astrobiology 17, no. 6–7 (2017): 627–654, https://doi.org/10.1089/ast.2016.1567.
P. Michel, S. Ulamec, U. Böttger, et al., “The MMX Rover: Performing In Situ Surface Investigations on Phobos,” Earth, Planets and Space 74 (2022): 2, https://doi.org/10.1186/s40623-021-01464-7.
A. Wang, B. L. Jolliff, J. Lambert, and I. Hutchinson, “Raman Spectroscopy for Lunar Sciences and Lunar Explorations,” LPI Contributions, no. 3040 (2024): 1274.
H. N. Lerman, I. B. Hutchinson, M. McHugh, et al., “Testing of Analogue Planetary Materials With the Compact Integrated Raman Spectrometer,” LPI Contributions, no. 3040 (2024): 2592.
C. Briones, J. A. Rodríguez-Manfredi, A. Kereszturi, and N. Mangold, “Robotic Missions to Mars,” in Mars and the Earthlings: A Realistic View on Mars Exploration and Settlement, ed. N. Mangold (Springer Nature Switzerland, 2025): 51–84, https://doi.org/10.1007/978-3-031-66881-4_3.
I. B. Hutchinson, R. Ingley, H. G. Edwards, et al., “Raman Spectroscopy on Mars: Identification of Geological and Bio-Geological Signatures in Martian Analogues Using Miniaturized Raman Spectrometers,” Philosophical Transactions of the Royal Society a: Mathematical, Physical and Engineering Sciences 372, no. 2030 (2014): 20140204, https://doi.org/10.1098/rsta.2014.0204.
L. V. Harris, M. McHugh, I. B. Hutchinson, et al., “Avoiding Misidentification of Bands in Planetary Raman Spectra,” Journal of Raman Spectroscopy 46, no. 10 (2015): 863–872, https://doi.org/10.1002/jrs.4667.
F. Rull, M. Veneranda, J. A. Manrique-Martinez, et al., “Spectroscopic Study of Terrestrial Analogues to Support Rover Missions to Mars—A Raman-Centred Review,” Analytica Chimica Acta 1209 (2022): 339003, https://doi.org/10.1016/j.aca.2021.339003.
L. Demaret, I. B. Hutchinson, R. Ingley, et al., “Fe-Rich Fossil Vents as Mars Analog Samples: Identification of Extinct Chimneys in Miocene Marine Sediments Using Raman Spectroscopy, X-Ray Diffraction, and Scanning Electron Microscopy–Energy Dispersive X-Ray Spectroscopy,” Astrobiology 22, no. 9 (2022): 1081–1098, https://doi.org/10.1089/ast.2021.0128.
H. G. Changela, E. Chatzitheodoridis, A. Antunes, et al., “Mars: New Insights and Unresolved Questions,” International Journal of Astrobiology 20, no. 6 (2021): 394–426, https://doi.org/10.1017/S1473550421000276.
S. Stewart, R. J. Priore, M. P. Nelson, and P. J. Treado, “Raman Imaging,” Annual Review of Analytical Chemistry 5, no. 1 (2012): 337–360, https://doi.org/10.1146/annurev-anchem-062011-143152.
S. Guo, J. Popp, and T. Bocklitz, “Chemometric Analysis in Raman Spectroscopy From Experimental Design to Machine Learning–Based Modeling,” Nature Protocols 16, no. 12 (2021): 5426–5459, https://doi.org/10.1038/s41596-021-00620-3.
F. Sauro, S. J. Payler, M. Massironi, et al., “Training Astronauts for Scientific Exploration on Planetary Surfaces: The ESA PANGAEA Programme,” Acta Astronautica 204 (2023): 222–238, https://doi.org/10.1016/j.actaastro.2022.12.034.
A. Coccato and M. C. Caggiani, “An Overview of Principal Components Analysis Approaches in Raman Studies of Cultural Heritage Materials,” Journal of Raman Spectroscopy 55, no. 2 (2024): 125–147, https://doi.org/10.1002/jrs.6621.
E. R. K. Neo, Z. Yeo, J. S. C. Low, V. Goodship, and K. Debattista, “A Review on Chemometric Techniques With Infrared, Raman and Laser-Induced Breakdown Spectroscopy for Sorting Plastic Waste in the Recycling Industry,” Resources, Conservation and Recycling 180 (2022): 106217, https://doi.org/10.1016/j.resconrec.2022.106217.
J. Gattacceca, A. Bouvier, J. Grossman, K. Metzler, and M. Uehara, “The Meteoritical Bulletin, No. 106,” Meteoritics and Planetary Science 54 (2019): 469–471.
S. Wallace and J. Rafaelsen, “Understanding the Possible Links Between Grain Boundary Morphology and Mineralogy in the Sericho Pallasite,” Microscopy and Microanalysis 24, no. S1 (2018): 2114–2115, https://doi.org/10.1017/S1431927618011054.
J. S. Boesenberg, M. Humayun, R. Windmill, R. C. Greenwood, and I. Franchi, “LPI Contribution,” 2018, 2083.
Ø. Hammer and D. A. T. Harper, “Past: Paleontological Statistics Software Package for Educaton and Data Analysis,” Palaeontologia Electronica 4, no. 1 (2001): 1.
T. Laetsch and R. Downs, “Software for Identification and Refinement of Cell Parameters From Powder Diffraction Data of Minerals Using the RRUFF Project and American Mineralogist Crystal Structure Databases,” Abstracts From the 19th General Meeting of the International Mineralogical Association, Kobe, Japan, 2006, 23–28 July 2006. Consulted September 2024, https://rruff.info/about/about_download.php.
D. L. A. de Faria, S. Venâncio Silva, and M. T. de Oliveira, “Raman Microspectroscopy of Some Iron Oxides and Oxyhydroxides,” Journal of Raman Spectroscopy 28 (1997): 873–878, https://doi.org/10.1002/(SICI)1097-4555(199711)28:11<873::AID-JRS177>3.0.CO;2-B.
C. P. Marshall, W. J. B. Dufresne, and C. J. Rufledt, “Polarized Raman Spectra of Hematite and Assignment of External Modes,” Journal of Raman Spectroscopy 51, no. 9 (2020): 1522–1529.
R. J. Thibeau, C. W. Brown, and R. H. Heidersbach, “Raman Spectra of Possible Corrosion Products of Iron,” Applied Spectroscopy 32 (1978): 532–535.
M. Hanesch, “Raman Spectroscopy of Iron Oxides and (Oxy)hydroxides at Low Laser Power and Possible Applications in Environmental Magnetic Studies,” Geophysical Journal International 177 (2009): 941–948, https://doi.org/10.1111/j.1365-246X.2009.04122.x.
T. Mouri and M. Enami, “Raman Spectroscopic Study of Olivine-Group Minerals,” Journal of Mineralogical and Petrological Sciences 103, no. 2 (2008): 100–104.