Hahn, Annette; Vogel, Hendrik; Andó, Sergio; Garzanti, Eduardo; Kuhn, Gerhard; Lantzsch, Hendrik; Schüürman, Jan; Vogt, Christoph (2018): Apsorption units at wavenumbers and mineral content of several samples. PANGAEA, https://doi.org/10.1594/PANGAEA.887187, Supplement to: Hahn, Annette; Vogel, Hendrik; Andó, Sergio; Garzanti, Eduardo; Kuhn, Gerhard; Lantzsch, Hendrik; Schüürman, Jan; Vogt, Christoph; Zabel, Matthias (2018): Using Fourier transform infrared spectroscopy to determine mineral phases in sediments. Sedimentary Geology, 375, 27-35, https://doi.org/10.1016/j.sedgeo.2018.03.010
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In paleoenvironmental studies, the mineralogical composition of sediments is an important indicator. In combination with other indicators, they contribute to the understanding of changes in sediment sourcing as well as in weathering and depositional processes. Fourier transform infrared spectroscopy (FTIRS) spectra contain information on mineralogical composition because each mineral has a unique absorption pattern in the mid-IR range. Although easily obtained, FTIR spectra are often too complex to infer mineral concentrations directly. In this study, we use a calibration set of ca. 200 sediment samples conventionally measured using X-ray diffraction (XRD) in order to develop multivariate, partial least squares (PLS) regression models relating mineral contents to sediment spectra. Good correlations were obtained for the most common minerals (e.g. quartz, K-feldspar, illite, plagioclase, smectite, calcite). Correlation coefficients ranged from 0.85 to 0.92, coefficients for the validation varied from 0.64 to 0.80, the number of latent variables (PLS regression components) in the models ranged between 3 and 7 and the range of variation of the RMSEcv gradient was from 15.28 to 5.7.
Federal Ministry of Education and Research (BMBF), grant/award no. 03G0840A: Regional Archives for Integrated iNvestigations
Median Latitude: -21.424436 * Median Longitude: -5.595375 * South-bound Latitude: -78.262333 * West-bound Longitude: -70.377200 * North-bound Latitude: 42.708250 * East-bound Longitude: 90.658200
Date/Time Start: 1983-02-18T00:00:00 * Date/Time End: 2016-02-24T10:30:00
Datasets listed in this publication series
- Hahn, A; Vogel, H; Andó, S et al. (2018): Apsorption units at wavenumbers of several samples. https://doi.org/10.1594/PANGAEA.887170
- Hahn, A; Vogel, H; Andó, S et al. (2018): Mineral content of several samples. https://doi.org/10.1594/PANGAEA.887169