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Improved accuracy in quantitative laser-induced breakdown spectroscopy using sub-models

Anderson, Ryan B. and Clegg, Samuel M. and Frydenvang, Jens and Wiens, Roger C. and McLennan, Scott and Morris, Richard V. and Ehlmann, Bethany L. and Dyar, M. Darby (2017) Improved accuracy in quantitative laser-induced breakdown spectroscopy using sub-models. Spectrochimica Acta Part B: Atomic Spectroscopy, 129 . pp. 49-57. ISSN 0584-8547. doi:10.1016/j.sab.2016.12.002.

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Accurate quantitative analysis of diverse geologic materials is one of the primary challenges faced by the laser-induced breakdown spectroscopy (LIBS)-based ChemCam instrument on the Mars Science Laboratory (MSL) rover. The SuperCam instrument on the Mars 2020 rover, as well as other LIBS instruments developed for geochemical analysis on Earth or other planets, will face the same challenge. Consequently, part of the ChemCam science team has focused on the development of improved multivariate analysis calibrations methods. Developing a single regression model capable of accurately determining the composition of very different target materials is difficult because the response of an element's emission lines in LIBS spectra can vary with the concentration of other elements. We demonstrate a conceptually simple “sub-model” method for improving the accuracy of quantitative LIBS analysis of diverse target materials. The method is based on training several regression models on sets of targets with limited composition ranges and then “blending” these “sub-models” into a single final result. Tests of the sub-model method show improvement in test set root mean squared error of prediction (RMSEP) for almost all cases. The sub-model method, using partial least squares (PLS) regression, is being used as part of the current ChemCam quantitative calibration, but the sub-model method is applicable to any multivariate regression method and may yield similar improvements.

Item Type:Article
Related URLs:
URLURL TypeDescription
Anderson, Ryan B.0000-0003-4465-2871
Clegg, Samuel M.0000-0002-0338-0948
Frydenvang, Jens0000-0001-9294-1227
Wiens, Roger C.0000-0002-3409-7344
McLennan, Scott0000-0003-4259-7178
Ehlmann, Bethany L.0000-0002-2745-3240
Dyar, M. Darby0000-0003-4272-793X
Additional Information:© 2017 Elsevier B.V. Received 11 March 2016, Revised 19 September 2016, Accepted 11 December 2016, Available online 15 December 2016.
Group:Astronomy Department
Subject Keywords:Laser-induced breakdown spectroscopy; Chemometrics; Geological analysis
Record Number:CaltechAUTHORS:20170417-083058865
Persistent URL:
Official Citation:Ryan B. Anderson, Samuel M. Clegg, Jens Frydenvang, Roger C. Wiens, Scott McLennan, Richard V. Morris, Bethany Ehlmann, M. Darby Dyar, Improved accuracy in quantitative laser-induced breakdown spectroscopy using sub-models, Spectrochimica Acta Part B: Atomic Spectroscopy, Volume 129, 1 March 2017, Pages 49-57, ISSN 0584-8547, (
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:76588
Deposited By: Tony Diaz
Deposited On:17 Apr 2017 16:09
Last Modified:15 Nov 2021 17:01

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