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XRF logging data from Nussloch loess cores

The Nussloch Drilling Campaign (NUSS) involved drilling three loess sediment cores (85 mm in diameter) on April 21-25, 2019, on top of a loess hill at 49.31°N, 8.73°E, at an altitude of 215 m, close to the most recently described outcrop at the Nussloch reference site in Germany. Downhole logging was performed in the three drilling holes. Core S2, which has the most complete stratigraphy compared to previously published profiles, was analyzed using XRF core scanning. The name of the samples is given as NUSS for Nussloch, S2 for core S2, and C1-C11 for the subcore numbers. Depth is expressed in meters from the topsoil to the lowest level reached during drilling. The XRF data consists of the following elements: Na, Mg, Al, Si, P, S, Cl, K, Ca, Ti, Cr, Mn, Fe, Cu, Zn, Ni, Br, Rb, Sr, Zr, and Pb, in counts. These raw data counts are followed by the following ratios: Ca/Sr, Rb/Sr, Rb/K, Fe/Al, Fe/Mn, Si/Al, Ti/Al, Ti/Zr, Zr/Rb, and Ca/Al. Measurements were conducted every 1 cm from the top of the sub-cores. The measurements were performed with a resolution of 5mm on the AVAATECH Core Scanner at the EDYTEM laboratory in Chambéry in June 2015. This investigation aimed to conduct a comprehensive coring to acquire a sedimentary archive to ensure the preservation of this distinctive Nussloch record for future research projects.

Kern-Schale Katalysatorsysteme für geringe Edelmetallbeladungen, hohe Umwandlungseffizienzen und hohe Lebensdauern in der Wasserelektrolyse mit saurer Polymerelektrolytmembran, Teilvorhabenbeschreibung: Computergestützte Vorhersage Stabiler Kern-Schale Konfigurationen

Ziel dieses Teilprojekts ist das Screening von Kern-Schale Grenzflächen nach thermodynamisch stabilen Materialkombinationen durch atomistische Simulationen. Für die rigorose Bestimmung der entsprechenden Grenzflächenenergien müssen unterschiedliche Facetten und Terminierungen aller Materialien (oxidisches Titan, Tantal, Zinn, Niob und Iridium) berücksichtigt werden. Zudem ist die Bestimmung der genauen Grenzflächenstruktur ein komplexes globales Optimierungsproblem. Um diese Fragestellung zu lösen, sollen im Rahmen dieses Arbeitspaketes hochgenaue reaktive Kraftfelder für die Zielmaterialien entwickelt werden. Dies wird durch maschinelles Lernen (ML) auf Basis von Dichtefunktionaltheorie (DFT) Trainingsdaten erfolgen. Da diese Kraftfelder 3-4 Größenordnungen schnellere Simulationen als DFT ermöglichen kann die strukturelle Diversität der Grenzflächen (inklusive der Berücksichtigung von Defekten und Fehlstellen) auf diese Weise ausführlich erkundet werden.

Grundwassermessstelle DEGM_39390015: Hagendorf

Stammdaten und Analysedaten zu den Grundwassermessstellen im EUA-Messnetz: Messtelle DEGM_39390015 (Hagendorf)

Metal distribution for sediment samples of the cruise AT010

Offshore wind energy is a steadily growing sector contributing to the worldwide energy production. The impact of these offshore constructions on the marine environment, however, remains unclear in many aspects. In fact, little is known about potential emissions from corrosion protection systems such as organic coatings or galvanic anodes composed of Al and Zn alloys, used to protect offshore structures. In order to assess potential chemical emissions from offshore wind farms and their impact on the marine environment water and sediment samples were taken in and around offshore wind farms of the German Bight between 04.04.2022 and 14.04.2022 within the context of the Hereon-BSH project OffChEm II. The surface sediment samples were taken by a box grab, homogenized, freeze-dried and wet-sieved to gain the <20 µm grain size fraction. The <20 µm grain size fraction was acid digested and measured by ICP-MS/MS for their (trace) metal mass fractions.

X-ray Fluorescence (XRF) measurements of floodplain sediments from NEP 1, NEP 2 and NEP 3 from Nördlingen, southern Germany

This data set presents bulk sample-based X-ray Fluorescence (XRF) measurements. For XRF sample preparation freeze-dried sediments from silt-clay overbank deposits of the Eger floodplain in Southern Germany were seaved (2mm) to discard the gravel fraction and large organic matter. Further homogenization was undertaken by grinding the samples with PM 200 planetary ball mill from Retsch. 8 g of sediment sample (<30 µm) homogenized in the ball mill were mixed with 2 g of special wax and homogenized with a shaker. Uniform pellets were formed using a Vaneox press at 20 t for 2 minutes. Elemental analyses were conducted in a He atmosphere using a Spectro Xepos energy dispersive XRF spectrometer.

Geochemical parameters in peat depth profiles from ombrotrophic bogs in North and Central Europe. Drebbersches Moor, Germany

This dataset contains geochemical variables measured in six depth profiles from ombrotrophic peatlands in North and Central Europe. Peat cores were taken during the spring and summer of 2022 from Amtsvenn (AV1), Germany; Drebbersches Moor (DM1), Germany; Fochteloër Veen (FV1), the Netherlands; Bagno Kusowo (KR1), Poland; Pichlmaier Moor (PI1), Austria and Pürgschachen Moor (PM1), Austria. The cores AV1, DM1 and KR1 were taken using a Wardenaar sampler (Royal Eijkelkamp, Giesbeek, the Netherlands) and had diameter of 10 cm. The cores FV1, PM1 and PI1 had an 8 cm diameter and were obtained using an Instorf sampler (Royal Eijkelkamp, Giesbeek, the Netherlands). The cores FV1, DM1 and KR1 were 100 cm, core AV1 was 95 cm, core PI1 was 85 cm and core PM1 was 200 cm. The cores were subsampeled in 1 cm (AV1, DM1, KR1, FV1) and 2 cm (PI1, PM1) sections. The subsamples were milled after freeze drying in a ballmill using tungen carbide accesoires. X-Ray Fluorescence (WD-XRF; ZSX Primus II, Rigaku, Tokyo, Japan) was used to determine Al (μg g-1), As (μg g-1), Ba (μg g-1), Br (μg g-1), Ca (g g-1), Cl (μg g-1), Cr (μg g-1), Cu (μg g-1), Fe (g g-1), K (g g-1), Mg (μg g-1), Mn (μg g-1), Na (μg g-1), P (μg g-1), Pb (μg g-1), Rb (μg g-1), S (μg g-1), Si (μg g-1), Sr (μg g-1), Ti (μg g-1) and Zn (μg g-1). These data were processed and calibrated using the iloekxrf package (Teickner & Knorr, 2024) in R. C, N and their stable isotopes were determined using an elemental analyser linked to an isotope ratio mass spectrometer (EA-3000, Eurovector, Pavia, Italy & Nu Horizon, Nu Instruments, Wrexham, UK). C and N were given in units g g-1 and stable isotopes were given as δ13C and δ15N for stable isotopes of C and N, respectively. Raw data C, N and stable isotope data were calibrated with certified standard and blank effects were corrected with the ilokeirms package (Teickner & Knorr, 2024). Using Fourier Transform Mid-Infrared Spectroscopy (FT-MIR) (Agilent Cary 670 FTIR spectromter, Agilent Technologies, Santa Clara, Ca, USA) humification indices (HI) were determined. Spectra were recorded from 600 cm-1 to 4000 cm-1 with a resolution of 2 cm-1 and baselines corrected with the ir package (Teickner, 2025) to estimate relative peack heights. The HI (no unit) for each sample was calculated by taking the ratio of intensities at 1630 cm-1 to the intensities at 1090 cm-1. Bulk densities (g cm-3) were estimated from FT-MIR data (Teickner et al., in preparation).

Geochemical parameters in peat depth profiles from ombrotrophic bogs in North and Central Europe. Fochteloër Veen, the Netherlands

This dataset contains geochemical variables measured in six depth profiles from ombrotrophic peatlands in North and Central Europe. Peat cores were taken during the spring and summer of 2022 from Amtsvenn (AV1), Germany; Drebbersches Moor (DM1), Germany; Fochteloër Veen (FV1), the Netherlands; Bagno Kusowo (KR1), Poland; Pichlmaier Moor (PI1), Austria and Pürgschachen Moor (PM1), Austria. The cores AV1, DM1 and KR1 were taken using a Wardenaar sampler (Royal Eijkelkamp, Giesbeek, the Netherlands) and had diameter of 10 cm. The cores FV1, PM1 and PI1 had an 8 cm diameter and were obtained using an Instorf sampler (Royal Eijkelkamp, Giesbeek, the Netherlands). The cores FV1, DM1 and KR1 were 100 cm, core AV1 was 95 cm, core PI1 was 85 cm and core PM1 was 200 cm. The cores were subsampeled in 1 cm (AV1, DM1, KR1, FV1) and 2 cm (PI1, PM1) sections. The subsamples were milled after freeze drying in a ballmill using tungen carbide accesoires. X-Ray Fluorescence (WD-XRF; ZSX Primus II, Rigaku, Tokyo, Japan) was used to determine Al (μg g-1), As (μg g-1), Ba (μg g-1), Br (μg g-1), Ca (g g-1), Cl (μg g-1), Cr (μg g-1), Cu (μg g-1), Fe (g g-1), K (g g-1), Mg (μg g-1), Mn (μg g-1), Na (μg g-1), P (μg g-1), Pb (μg g-1), Rb (μg g-1), S (μg g-1), Si (μg g-1), Sr (μg g-1), Ti (μg g-1) and Zn (μg g-1). These data were processed and calibrated using the iloekxrf package (Teickner & Knorr, 2024) in R. C, N and their stable isotopes were determined using an elemental analyser linked to an isotope ratio mass spectrometer (EA-3000, Eurovector, Pavia, Italy & Nu Horizon, Nu Instruments, Wrexham, UK). C and N were given in units g g-1 and stable isotopes were given as δ13C and δ15N for stable isotopes of C and N, respectively. Raw data C, N and stable isotope data were calibrated with certified standard and blank effects were corrected with the ilokeirms package (Teickner & Knorr, 2024). Using Fourier Transform Mid-Infrared Spectroscopy (FT-MIR) (Agilent Cary 670 FTIR spectromter, Agilent Technologies, Santa Clara, Ca, USA) humification indices (HI) were determined. Spectra were recorded from 600 cm-1 to 4000 cm-1 with a resolution of 2 cm-1 and baselines corrected with the ir package (Teickner, 2025) to estimate relative peack heights. The HI (no unit) for each sample was calculated by taking the ratio of intensities at 1630 cm-1 to the intensities at 1090 cm-1. Bulk densities (g cm-3) were estimated from FT-MIR data (Teickner et al., in preparation).

Geochemical parameters in peat depth profiles from ombrotrophic bogs in North and Central Europe. Pichlmaier Moor, Austria

This dataset contains geochemical variables measured in six depth profiles from ombrotrophic peatlands in North and Central Europe. Peat cores were taken during the spring and summer of 2022 from Amtsvenn (AV1), Germany; Drebbersches Moor (DM1), Germany; Fochteloër Veen (FV1), the Netherlands; Bagno Kusowo (KR1), Poland; Pichlmaier Moor (PI1), Austria and Pürgschachen Moor (PM1), Austria. The cores AV1, DM1 and KR1 were taken using a Wardenaar sampler (Royal Eijkelkamp, Giesbeek, the Netherlands) and had diameter of 10 cm. The cores FV1, PM1 and PI1 had an 8 cm diameter and were obtained using an Instorf sampler (Royal Eijkelkamp, Giesbeek, the Netherlands). The cores FV1, DM1 and KR1 were 100 cm, core AV1 was 95 cm, core PI1 was 85 cm and core PM1 was 200 cm. The cores were subsampeled in 1 cm (AV1, DM1, KR1, FV1) and 2 cm (PI1, PM1) sections. The subsamples were milled after freeze drying in a ballmill using tungen carbide accesoires. X-Ray Fluorescence (WD-XRF; ZSX Primus II, Rigaku, Tokyo, Japan) was used to determine Al (μg g-1), As (μg g-1), Ba (μg g-1), Br (μg g-1), Ca (g g-1), Cl (μg g-1), Cr (μg g-1), Cu (μg g-1), Fe (g g-1), K (g g-1), Mg (μg g-1), Mn (μg g-1), Na (μg g-1), P (μg g-1), Pb (μg g-1), Rb (μg g-1), S (μg g-1), Si (μg g-1), Sr (μg g-1), Ti (μg g-1) and Zn (μg g-1). These data were processed and calibrated using the iloekxrf package (Teickner & Knorr, 2024) in R. C, N and their stable isotopes were determined using an elemental analyser linked to an isotope ratio mass spectrometer (EA-3000, Eurovector, Pavia, Italy & Nu Horizon, Nu Instruments, Wrexham, UK). C and N were given in units g g-1 and stable isotopes were given as δ13C and δ15N for stable isotopes of C and N, respectively. Raw data C, N and stable isotope data were calibrated with certified standard and blank effects were corrected with the ilokeirms package (Teickner & Knorr, 2024). Using Fourier Transform Mid-Infrared Spectroscopy (FT-MIR) (Agilent Cary 670 FTIR spectromter, Agilent Technologies, Santa Clara, Ca, USA) humification indices (HI) were determined. Spectra were recorded from 600 cm-1 to 4000 cm-1 with a resolution of 2 cm-1 and baselines corrected with the ir package (Teickner, 2025) to estimate relative peack heights. The HI (no unit) for each sample was calculated by taking the ratio of intensities at 1630 cm-1 to the intensities at 1090 cm-1. Bulk densities (g cm-3) were estimated from FT-MIR data (Teickner et al., in preparation).

Geochemical composition of S1 sediment core from Lower Odra Valley, NW Poland

Oxbow lakes are continuous archives of flood events. On 28th June 2022 a 7.5 m long bottom sediment core (S1: 53.24758°N and 14.46271°E, 2.4 m b.s.l.) was collected from an oxbow lake in the Lower Odra Valley, NW Poland. Drilling was conducted using an Instorf sampler (Russian type; chamber dimension: 10 x 50 cm), onboard a "Manat" catamaran motorboat. After core recovery, each half-metre section was packed into a PVC tube and kept in cool rooms with a constant temperature. Samples were collected every 4 cm. For the first 2 m of the core grain-size, geochemical and Chironomidae analyses as well as radiocarbon dating were performed, which allow to identify flood events in the last 3200 years.

Ahr river overbank sediments: XRF elemental composition data set (Mayschoß-Transect, core Ahr2022-1_1, Ahr2022-1_2, Ahr2022-2_1, Ahr2022-2_2)

The elemental composition of samples from four sediment cores from the Mayschoß floodplain (Ahr river) was determined by X-ray fluorescence spectrometry (XRF). In the first step of preparation, large organic matter and pebbles were removed from freeze-dried samples (8 g) by sieving (2 mm). Subsequently, the samples were powdered and homogenised with vibratory Retsch mill MM 200. The uniform pills for the analysis were pressed with a carbon-based binding agent by Vaneox press at 20 t for 2 min. The elemental analysis of 50 elements was conducted in a He atmosphere using a Spectro Xepos energy dispersive XRF spectrometer. The surface elevation was extracted from Brell et al. (2023).

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