This dataset contains files used for and generated by the EQ3 software (Wolery, 1992), and constitute the results of thermodynamic modeling used to calculate aqueous speciation of fluids at high pressures and temperatures based on thermodynamic properties consistent with the Deep Earth Water model (Huang & Sverjensky, 2019). They constitute the main results discussed in our manuscript entitled “Oxidized sulfur species in slab fluids as a source of enriched sulfur isotope signatures in arcs”. These files are separated into various folders, representing different P-T conditions and chemical systems. The “Newton and Manning model” folder contains files used to construct Figures 1 and 2, and represent our model representation of the high-pressure experiments on anhydrite solubility conducted by Newton and Manning (2005), which was used to constrain the thermodynamic properties of the complexes CaHSO4+, Na2SO4 and CaCl2. The “Subduction zone fluids” folder contains our model subduction zone fluids, equilibrated with subducting mineral assemblages. This folder is subdivided into “Mafic assemblage” and “Ultramafic assemblage”, which are further subdivided by pressure, temperature (2 GPa, 400–700°C; 3GPa, 500–800°C) and oxygen fugacity, reported in log units relative to the fayalite-magnetite-quartz (FMQ) buffer (FMQ-2 to FMQ+4). The output files contain the full chemical speciation predicted by the Deep Earth Water model for fluids in equilibrium with the specified mineralogical assemblages.

This depository includes three NetCDF datasets and one Mathematica notebook designed to compute the drought estimation error within the bias-variance decomposition framework for various constructed terrestrial water storage scenarios. These methods are also applied to a real-world global reanalyses terrestrial water storage dataset.

This dataset is associated with two publications: "Spatiotemporal shifts in the distribution of genes in Chesapeake Bay: Part I- Major trends, gene-gene relationships, and environmental correlates" and "Spatiotemporal shifts in the distribution of genes in Chesapeake Bay: Part II- Relationship between genes and associated modeled rates." Metagenomics can provide insight into microbial community metabolic potential, but understanding factors that influence gene abundance could maximize the information gained from this analysis. Gene abundances are influenced by chemical or physical conditions along with other factors, such as copy number variation between taxa or methodological issues associated with identification and classification. Here, we identify major drivers of spatiotemporal shifts in microbial gene relative abundance from multiple months, sites, and depths within Chesapeake Bay in 2017 using shotgun metagenomics. We compared changes in relative abundance of bacterial photosynthesis and nitrogen and sulfur metabolism genes with other genes and measured environmental variables. Major drivers of differences in key metabolic gene abundances are associated with environmental variables that largely change with depth and season (e.g. temperature, oxygen, phosphate). For sulfur oxidation, bacterial photosynthesis, and denitrification, genes within each process are generally significantly correlated with each other and with several environmental variables. For other processes, such as nitrification, nitrogen fixation, and dissimilatory nitrate reduction to ammonium, genes that encode enzymes within the same pathway are not well correlated. The lack of correlation typically results from differences in identified taxa carrying these genes, suggesting methodological errors or discrepancies in gene copy number between taxonomic groups. Genes or pathways strongly correlated with environmental variables and specific to and inclusive of all taxa mediating the associated process may be the most suitable as indicators of biogeochemical processes, and we compare gene abundances to model predictions in our companion paper.

The datasets include 1) the nonstationarity index, its relative importance metric, and the associated metric components for all variables that have been reported; 2) time series of all variables of interest for 20 hotspot regions, along with the region mask information; 3) mutual information and RMSE results for all evaluated variables in OL and DA simulations; and 4) core code to calculate the nonstationarity index.

This dataset includes carbonate Ca isotope (‰, n = 173) and Mg isotope (‰, n = 42) compositions and Mg/Ca (mmol/mol), Sr/[Ca+Mg] (mmol/mol), Mn/[Ca+Mg] (mmol/mol), and U/[Ca+Mg] (µmol/mol) major and trace elemental ratios (n = 186) of standards and samples from the Dunfee and Esmeralda members of the Deep Spring Formation at Mount Dunfee, NV, the lower Wood Canyon Formation at Echo Canyon, CA, and the La Ciénega Formation at Cerro Rajón, SO. It also includes facies descriptions of the Dunfee and Esmeralda members of the Deep Spring Formation at Mount Dunfee, NV.

This study focuses on differences in sources and dynamics of sulfate in a forested versus suburban streams in an unglaciated region underlain by schist. Sulfate in streams is both an important nutrient and potential pollutant that is linked with the nitrogen, carbon, and phosphorus cycles. There are uncertainties about how suburban sulfate sources including septic, fertilizer, road salt, and infrastructure impact sulfate fluxes. We studied suburban and forested headwater catchments nested within a 381-ha catchment to estimate the magnitude of sulfate sources and evaluate the effects of land use on transport to streams. Data for this study include discharge, sulfate concentrations, water hydrogen and oxygen values, and sulfate sulfur and oxygen isotope data, as well as results of models described in the paper.

This archive contains data used in the publication Recalde-Coronel G. C. et al. (2024). The sub-seasonal to seasonal hydrological forecast systems (S2S-HFS) dataset contains monthly spatial meteorological forcing fields (e.g., Tair, Qair, Rain) and hydrological variables (e.g., evapotranspiration, surface runoff) for Western Tropical South America (WTSA) for ten ensemble members. WTSA includes Peru, Ecuador, Colombia, and portions of Venezuela, Brazil, Bolivia, and Chile. We conducted the S2S-HFS hindcast simulations from 2000 to 2017 using the Noah-Multi-parameterization (Noah-MP) land surface model in offline mode within NASA’s Land Information System. The S2S-HFS hydrological simulations consist of daily outputs at 10-km spatial resolution over WTSA (1°N–18°S, 82°–67°W). The S2S-HFS is run using the downscaled NASA Goddard Earth Observing System Model - sub-seasonal to seasonal (GEOS-S2SV1) dataset as a meteorological forcing, and the Western Tropical of South America Land Data Assimilation systems (WTSA-LDAS; Recalde et al. 2021) retrospective simulation dataset as initial conditions. Further details of the S2S-HFS methodology are provided in Recalde-Coronel et al. (2024). Code for the NASA Land Information System used to generate these model outputs is maintained by NASA and is available at https://github.com/NASA-LIS/LISF. Variables included in the dataset: Net downward shortwave radiation Net downward longwave radiation Surface upward sensible heat flux Surface upward latent heat flux Precipitation rate Total evapotranspiration Surface temperature Soil moisture content Soil temperature Wind speed Specific humidity Surface pressure Leaf area index Green vegetation fraction Surface runoff amount Subsurface runoff amount Water table depth Terrestrial water storage

This data set contains three components. Component 1 is a set of geochemical data from sediment cores collected from the Chesapeake Bay (Maryland and Virginia, USA). Component 2 is a spreadsheet containing a modified copy of a geochemical dataset downloaded from Phase 1 of the Sedimentary Geochemistry and Paleoenvironments repository (Farrell et al., 2021; doi.org/10.1111/gbi.12462) in August 2023. A text file associated with Component 2 describes how the data in the spreadsheet have been filtered from the original SGP download. Component 3 contains a modified section of code from the COPSE biogeochemical model (Lenton et al., 2018; doi.org/10.1016/j.earscirev.2017.12.004) as well a Matlab file (.mat format) that contains vectors for use in the modified section of code.

This study focuses on geochemical analyses of shallow sediments from two sites in Chesapeake Bay. We used these analyses to study the effects of seasonal oxygen decline and biological turnover on pyrite burial rates and pyrite sulfur isotope compositions. Pyrite burial in marine and estuarine sediments is a key process that impacts oxygen levels in the ocean-atmosphere system over geological timescales. Pyrite’s sulfur isotope composition can also be used to study ancient environmental conditions. We found that at both studied sites, pyrite primarily forms in the summer and dissolves in the winter. The more frequently ventilated site had higher pyrite concentrations because of higher rates of formation in the summer, which may be influenced by sulfur oxidizing microbial communities. Despite differences in rates of pyrite formation between sites, sulfur isotope ratios (34S/32S) of pyrite are similar between the sites and are lower than the 34S/32S ratios of coexisting pyrite precursors. This offset between pyrite sulfur isotopes and pyrite precursors may be due to position-specific isotope effects. Here, we include the following data that support these results: 1) Solid phase sulfur and carbon isotope geochemistry for sediment samples from Chesapeake Bay Sites CB4.3C and CB4.3W, 2) Radiogenic isotope data (Pb-210, Ra-226, Cs-137, Be-7) for sediment samples from Chesapeake Bay Sites CB4.3C and CB4.3W, 3) Matlab code for the position-specific isotope effect model.

We report the optical properties of two haze analogous to those produced in temperate water-rich exoplanet atmospheres. Their optical constants (the real refractive indices, n, and the extinction coefficients, k) are derived from 0.4 to 28.6 μm, covering optical wavelengths accessible with Hubble and ground-based facilities and the entire JWST wavelength range. The optical constants of our water-rich derived exoplanet hazes differ from those of the Titan-like hazes, therefore affecting transmission, thermal emission, and reflected light spectra of exoplanets to different extents. The two sets of optical constants reported here are applicable for temperate water-rich exoplanet atmospheres and can be used for current and future observational and modeling efforts of such atmospheres.