| _version_ | 1867167675940077568 |
|---|---|
| author | Hahn, Annette Vogel, Hendrik Andó, Sergio Garzanti, Eduardo Kuhn, Gerhard Lantzsch, Hendrik Schüürman, Jan Vogt, Christoph |
| author_facet | Hahn, Annette Vogel, Hendrik Andó, Sergio Garzanti, Eduardo Kuhn, Gerhard Lantzsch, Hendrik Schüürman, Jan Vogt, Christoph |
| collection | Datos científicos de ciencias marinas y ambientales |
| contents | 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. |
| format | Dataset Open Access |
| id | pangaea_https___doi_org_10_1594_PANGAEA_887187 |
| institution | PANGAEA |
| language | en |
| publishDate | 2018 |
| publisher | PANGAEA |
| record_format | pangaea |
| spellingShingle | Apsorption units at wavenumbers and mineral content of several samples Hahn, Annette Vogel, Hendrik Andó, Sergio Garzanti, Eduardo Kuhn, Gerhard Lantzsch, Hendrik Schüürman, Jan Vogt, Christoph Center for Marine Environmental Sciences; Integrated Ocean Drilling Program / International Ocean Discovery Program; IODP; MARUM; RAiN; Regional Archives for Integrated iNvestigations 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. |
| title | Apsorption units at wavenumbers and mineral content of several samples |
| topic | Center for Marine Environmental Sciences; Integrated Ocean Drilling Program / International Ocean Discovery Program; IODP; MARUM; RAiN; Regional Archives for Integrated iNvestigations |
| url | https://doi.org/10.1594/PANGAEA.887187 |