Sediment composition data to support the manuscript "Multivariate analysis of shale gas development on the chemical and biological health of headwater streams"

This data release includes one comma delimited table that represents a summary of source and target samples collected for White Clay Creek between 2020 and 2023, in support of sediment fingerprinting modelling. This table contains sediment sample information and results of particle size, elemental composition, and fallout radionuclide analyses. Any use of trade, firm, or product names is for descriptive purposes only and does not imply endorsement by the U.S. Government. First posted - October 18, 2023 (available from author). Revised - March 28, 2024 (version 2.0). This data release has been revised to include data from samples collected in 2023 that were not published in version 1.0.

Geochemical data for aqueous, mine tailings, and sediment samples collected from the Big River and Meramec River drainage basins in southeastern Missouri are presented. The Big River drains historical lead, zinc, and barite mining districts, including the Old Lead Belt (OLB). Underground mining in the OLB resulted in large mine-waste chat piles and tailings impoundments that have released material laden with lead, zinc, and other trace elements to the Big River drainage basin. The Meramec River has also been affected by mining-related material transported by the Big River. Since the late 1980s, the U.S. Geological Survey (USGS) has been involved in investigations into the effects of mining on the Big River. The data presented here were generated as part of collaborations between the USGS Central Midwest Water Science Center, the USGS Mineral Resources Program, the U.S. Environmental Protection Agency, and the Missouri Department of Natural Resources. Flood deposit sediments were collected immediately after major flooding of the Big and Meramec Rivers in December 2016 and April 2017. Bed sediments and suspended sediments were collected by various methods during several field efforts from 2018 through 2022. Mine tailings were collected by coring on the former Federal mine tailings impoundment within St. Joe State Park in 2018. Concentrations of major and trace elements were determined for multiple particle size fractions of solid-phase samples, and multi-element analyses of deionized water leaches and sequential extractions were performed on select samples. Aqueous samples were collected from the Big River, tributaries, and mine and mine-waste seeps at near baseflow conditions during three different field efforts in 2018, 2019, and 2021. Aqueous samples were analyzed for anions and major and trace elements. Concentrations of major and trace elements in streambed and suspended sediments collected from the Big River drainage basin in 1988 and 1999 are also reported; these data were previously published in a USGS report but are provided here for convenient comparison.

Geochemical data for aqueous, mine tailings, and sediment samples collected from the Big River and Meramec River drainage basins in southeastern Missouri are presented. The Big River drains historical lead, zinc, and barite mining districts, including the Old Lead Belt (OLB). Underground mining in the OLB resulted in large mine-waste chat piles and tailings impoundments that have released material laden with lead, zinc, and other trace elements to the Big River drainage basin. The Meramec River has also been affected by mining-related material transported by the Big River. Since the late 1980s, the U.S. Geological Survey (USGS) has been involved in investigations into the effects of mining on the Big River. The data presented here were generated as part of collaborations between the USGS Central Midwest Water Science Center, the USGS Mineral Resources Program, the U.S. Environmental Protection Agency, and the Missouri Department of Natural Resources. Flood deposit sediments were collected immediately after major flooding of the Big and Meramec Rivers in December 2016 and April 2017. Bed sediments and suspended sediments were collected by various methods during several field efforts from 2018 through 2022. Mine tailings were collected by coring on the former Federal mine tailings impoundment within St. Joe State Park in 2018. Concentrations of major and trace elements were determined for multiple particle size fractions of solid-phase samples, and multi-element analyses of deionized water leaches and sequential extractions were performed on select samples. Aqueous samples were collected from the Big River, tributaries, and mine and mine-waste seeps at near baseflow conditions during three different field efforts in 2018, 2019, and 2021. Aqueous samples were analyzed for anions and major and trace elements. Concentrations of major and trace elements in streambed and suspended sediments collected from the Big River drainage basin in 1988 and 1999 are also reported; these data were previously published in a USGS report but are provided here for convenient comparison.

The Sediment and Aquifer Characteristics dataset includes two, grid-based polygon feature classes. The first class uses a five-kilometer grid to show the density of lithologic logs available for analysis. The second class contains attributes that characterize either Quaternary sediment in the glaciated conterminous United States or aquifer material within it. The attributes are derived from lithologic logs obtained from boreholes and wells. The polygons were delineated by a constrained, kriging-based interpolation based on the distribution of map units in the source Surficial Geologic Units dataset using a grid-based algorithm to interpolate between the point data, as defined in the processing steps.

The Sediment and Aquifer Characteristics dataset includes two, grid-based polygon feature classes. The first class uses a five-kilometer grid to show the density of lithologic logs available for analysis. The second class contains attributes that characterize either Quaternary sediment in the glaciated conterminous United States or aquifer material within it. The attributes are derived from lithologic logs obtained from boreholes and wells. The polygons were delineated by a constrained, kriging-based interpolation based on the distribution of map units in the source Surficial Geologic Units dataset using a grid-based algorithm to interpolate between the point data, as defined in the processing steps.

Citation Note: These data were collected as part of a research study published in Environmental Science and Technology. Please reference the following paper when citing these data. Blondes, M.S., Shelton, J.L., Engle, M.A., Trembly, J.P., Doolan, C.A., Jubb, A.M., Chenault, J.M., Rowan, E.L., Haefner, R.J., and Mailot, B.E., 2020, Utica Shale Play Oil and Gas Brines: Geochemistry and Factors Influencing Wastewater Management: Environmental Science & Technology, https://dx.doi.org/10.1021/acs.est.0c02461. The Utica and Marcellus Shale Plays in the Appalachian Basin are the 4th and 1st largest natural gas producing plays in the United States. Hydrocarbon production generates large volumes of brine (“produced water”) that must be disposed of, treated, or reused. Though Marcellus brines have been studied extensively, there are few studies from the Utica Shale Play. This study presents new brine chemical analyses from 16 Utica Shale Play wells in Ohio and Pennsylvania. Results from Na-Cl-Br systematics and stable and radiogenic isotopes suggest that the Utica Shale Play brines are likely residual pore water concentrated beyond halite saturation during the formation of the Ordovician Beekmantown evaporative sequence. The narrow range of chemistry for the Utica Shale Play produced waters (e.g., total dissolved solides = 214 – 283 g/L) over both time and space implies a consistent composition for disposal and reuse planning. The amount of salt produced annually from the Utica Shale Play is equivalent to 3.4% of annual U.S. halite production. Utica Shale Play brines have radium activities 580 times the EPA maximum contaminant level and are supersaturated with respect to barite, indicating the potential for surface and aqueous radium hazards if not properly disposed of.

Citation Note: These data were collected as part of a research study published in Environmental Science and Technology. Please reference the following paper when citing these data. Blondes, M.S., Shelton, J.L., Engle, M.A., Trembly, J.P., Doolan, C.A., Jubb, A.M., Chenault, J.M., Rowan, E.L., Haefner, R.J., and Mailot, B.E., 2020, Utica Shale Play Oil and Gas Brines: Geochemistry and Factors Influencing Wastewater Management: Environmental Science & Technology, https://dx.doi.org/10.1021/acs.est.0c02461. The Utica and Marcellus Shale Plays in the Appalachian Basin are the 4th and 1st largest natural gas producing plays in the United States. Hydrocarbon production generates large volumes of brine (“produced water”) that must be disposed of, treated, or reused. Though Marcellus brines have been studied extensively, there are few studies from the Utica Shale Play. This study presents new brine chemical analyses from 16 Utica Shale Play wells in Ohio and Pennsylvania. Results from Na-Cl-Br systematics and stable and radiogenic isotopes suggest that the Utica Shale Play brines are likely residual pore water concentrated beyond halite saturation during the formation of the Ordovician Beekmantown evaporative sequence. The narrow range of chemistry for the Utica Shale Play produced waters (e.g., total dissolved solides = 214 – 283 g/L) over both time and space implies a consistent composition for disposal and reuse planning. The amount of salt produced annually from the Utica Shale Play is equivalent to 3.4% of annual U.S. halite production. Utica Shale Play brines have radium activities 580 times the EPA maximum contaminant level and are supersaturated with respect to barite, indicating the potential for surface and aqueous radium hazards if not properly disposed of.

In December of 2018, the U.S. Geological Survey (USGS) signed a Technical Assistance Agreement with a third party to reanalyze 2,324 archived sample splits collected as part of the National Uranium Resource Evaluation (NURE) Hydrogeochemical and Stream Sediment Reconnaissance (HSSR) project from selected areas in Idaho and Montana. A small amount (approximately 0.25 grams [g]) of sieved <75-micron sample material was retrieved from the USGS National Geochemical Sample Archive for geochemical analysis. These samples were analyzed for 48 elements by ALS Global laboratories using their ultra-trace four-acid-digestion dual-mode inductively coupled plasma mass spectrometry (ICPMS) (ALS ME-MS61L) method (Ag, Al, As, Ba, Be, Bi, Ca, Cd, Ce, Co, Cr, Cs, Cu, Fe, Ga, Ge, Hf, In, K, La, Li, Mg, Mn, Mo, Na, Nb, Ni, P, Pb, Rb, Re, S, Sb, Sc, Se, Sn, Sr, Ta, Te, Th, Ti, Tl, U, V, W, Y, Zn, Zr). These data are comparable to those reported by Smith and others (2018, 2019). A subset of these samples, as identified by the collaborating party, was additionally analyzed by ALS Global laboratories for stable lead isotopes (204Pb, 206Pb, 207Pb, and 208Pb, using the MS61L-PbIS method). Blind standard reference materials (SRM) and sample duplicates were inserted by the USGS into every job of 36 samples to ensure the quality of the data. The results from these quality control (QC) samples, along with QC samples inserted by the laboratory, were evaluated for every job by a QC Manager. Only data that passed these checks were approved for release. Samples with analytical results that failed to pass the QC checks were reanalyzed and re-evaluated before the data were approved for release. The archived sample splits came from the NURE program, which began in 1973 with a primary goal of identifying uranium resources in the U.S. As one of nine components of the NURE program, the HSSR project systematically sampled the U.S. between 1976 and 1980 under the direction of four U.S. Department of Energy (DOE) national laboratories. Although there was some collaboration, each DOE laboratory developed its own sample collection, analytical, and data management methodologies, and hired contractors to do much of the actual work. Initially, Lawrence Livermore Laboratory (LLL) was responsible for the western states of Arizona, California, Idaho, Nevada, Oregon, Utah, and Washington; Los Alamos Scientific Laboratory (LASL) was responsible for the Rocky Mountain States (Colorado, Montana, New Mexico, and Wyoming) as well as Alaska; the Oak Ridge Gaseous Diffusion Plant (ORGDP) was responsible for 12 central Plains and upper Great Lakes States; and Savannah River Laboratory (SRL) was responsible for the remaining 23 states along the Eastern Seaboard, lower Great Lakes, Appalachians, and Gulf Coast. However, by 1979 the areas of responsibility had changed from state lines to 2-degree quadrangle boundaries and SRL had taken over the responsibility for completing the seven western states formerly assigned to LLL. Thus, quadrangles in the western third of the U.S. were variously sampled and analyzed by LLL, LASL, and SRL. Due to the enormous number of samples collected by these laboratories, some were sent to ORGDP for additional chemical analyses (Information Systems Programs, 1985; Smith, 1997). Geochemical samples were collected from multiple sources (78 percent stream-, 8 percent lake-, and 2 percent spring-sediments, and 12 percent soils). Analytical methods differed between laboratories and evolved over time so that 29 single- and multi-element analytical procedures, or variations thereof, were used during the project. The NURE-HSSR sediment and soil database compiled by Smith (1997) provides analytical results for 54 different elements (Ag, Al, As, Au, B, Ba, Be, Bi, Br, Ca, Cd, Ce, Cl, Co, Cr, Cs, Cu, Dy, Eu, F, Fe, Hf, Hg, K, La, Li, Lu, Mg, Mn, Mo, Na, Nb, Ni, P, Pb, Pt, Rb, Sb, Sc, Se, Sm, Sn, Sr, Ta, Tb, Th, Ti, U, V, W, Y, Yb, Zn, and Zr). However, no sample was

In December of 2018, the U.S. Geological Survey (USGS) signed a Technical Assistance Agreement with a third party to reanalyze 2,324 archived sample splits collected as part of the National Uranium Resource Evaluation (NURE) Hydrogeochemical and Stream Sediment Reconnaissance (HSSR) project from selected areas in Idaho and Montana. A small amount (approximately 0.25 grams [g]) of sieved <75-micron sample material was retrieved from the USGS National Geochemical Sample Archive for geochemical analysis. These samples were analyzed for 48 elements by ALS Global laboratories using their ultra-trace four-acid-digestion dual-mode inductively coupled plasma mass spectrometry (ICPMS) (ALS ME-MS61L) method (Ag, Al, As, Ba, Be, Bi, Ca, Cd, Ce, Co, Cr, Cs, Cu, Fe, Ga, Ge, Hf, In, K, La, Li, Mg, Mn, Mo, Na, Nb, Ni, P, Pb, Rb, Re, S, Sb, Sc, Se, Sn, Sr, Ta, Te, Th, Ti, Tl, U, V, W, Y, Zn, Zr). These data are comparable to those reported by Smith and others (2018, 2019). A subset of these samples, as identified by the collaborating party, was additionally analyzed by ALS Global laboratories for stable lead isotopes (204Pb, 206Pb, 207Pb, and 208Pb, using the MS61L-PbIS method). Blind standard reference materials (SRM) and sample duplicates were inserted by the USGS into every job of 36 samples to ensure the quality of the data. The results from these quality control (QC) samples, along with QC samples inserted by the laboratory, were evaluated for every job by a QC Manager. Only data that passed these checks were approved for release. Samples with analytical results that failed to pass the QC checks were reanalyzed and re-evaluated before the data were approved for release. The archived sample splits came from the NURE program, which began in 1973 with a primary goal of identifying uranium resources in the U.S. As one of nine components of the NURE program, the HSSR project systematically sampled the U.S. between 1976 and 1980 under the direction of four U.S. Department of Energy (DOE) national laboratories. Although there was some collaboration, each DOE laboratory developed its own sample collection, analytical, and data management methodologies, and hired contractors to do much of the actual work. Initially, Lawrence Livermore Laboratory (LLL) was responsible for the western states of Arizona, California, Idaho, Nevada, Oregon, Utah, and Washington; Los Alamos Scientific Laboratory (LASL) was responsible for the Rocky Mountain States (Colorado, Montana, New Mexico, and Wyoming) as well as Alaska; the Oak Ridge Gaseous Diffusion Plant (ORGDP) was responsible for 12 central Plains and upper Great Lakes States; and Savannah River Laboratory (SRL) was responsible for the remaining 23 states along the Eastern Seaboard, lower Great Lakes, Appalachians, and Gulf Coast. However, by 1979 the areas of responsibility had changed from state lines to 2-degree quadrangle boundaries and SRL had taken over the responsibility for completing the seven western states formerly assigned to LLL. Thus, quadrangles in the western third of the U.S. were variously sampled and analyzed by LLL, LASL, and SRL. Due to the enormous number of samples collected by these laboratories, some were sent to ORGDP for additional chemical analyses (Information Systems Programs, 1985; Smith, 1997). Geochemical samples were collected from multiple sources (78 percent stream-, 8 percent lake-, and 2 percent spring-sediments, and 12 percent soils). Analytical methods differed between laboratories and evolved over time so that 29 single- and multi-element analytical procedures, or variations thereof, were used during the project. The NURE-HSSR sediment and soil database compiled by Smith (1997) provides analytical results for 54 different elements (Ag, Al, As, Au, B, Ba, Be, Bi, Br, Ca, Cd, Ce, Cl, Co, Cr, Cs, Cu, Dy, Eu, F, Fe, Hf, Hg, K, La, Li, Lu, Mg, Mn, Mo, Na, Nb, Ni, P, Pb, Pt, Rb, Sb, Sc, Se, Sm, Sn, Sr, Ta, Tb, Th, Ti, U, V, W, Y, Yb, Zn, and Zr). However, no sample was