Cation Data for the East River Watershed, Colorado (2014-2024)

Dong, Wenming; Beutler, Curtis; Brown, Wendy; Newman, Alexander; O'Ryan, Dylan; Shirley, Austin; Versteeg, Roelof; Williams, Kenneth

doi:10.15485/1668055

Title: Cation Data for the East River Watershed, Colorado (2014-2024)

Dataset
Other Related Research

Abstract

This data package contains mean values for cation concentration for water samples taken from the East River Watershed in Colorado. Inductively coupled plasma mass spectrometry (ICP-MS) has been used to measure the concentrations of elements of interest simultaneously for the East River Watershed, Colorado groundwater and surface water samples to inform insights on the biogeochemistry processes within the watershed. The East River is part of the Watershed Function Scientific Focus Area (WFSFA) located in the Upper Colorado River Basin, United States. For samples before November 2021, the instrumentation, Elan DRC II, PerkinElmer SCIEX, automatically switches among the three models necessary to analyze all 37 elements. These 37 elements include: (1) Lithium (Li), Beryllium (Be), Boron (B), Sodium (Na), Magnesium (Mg), Aluminium (Al), Silicon (Si), Phosphorus (P), Titanium (Ti), Cobalt (Co), Nickel (Ni), Copper (Cu), Zinc (Zn), Germanium (Ge), Arsenic (As), Rubidium (Rb), Strontium (Sr), Zirconium (Zr), Molybdenum (Mo), Silver (Ag), Cadmium (Cd), Tin (Sn), Antimony (Sb), Caesium (Cs), Barium (Ba), Europium (Eu), Lead (Pb), Thorium (Th), Uranium (U) using standard model, argon Ar as reaction gas, (2) Potassium (K), Calcium (Ca), Vanadium (V), Chromium (Cr), Manganese (Mn), Iron (Fe) using dynamic reaction cell (DRC) model, ammonia NH3 as reaction gas,more »« less

Authors:

; Beutler, Curtis;

; Newman, Alexander;

; Shirley, Austin; Versteeg, Roelof;

Lawrence Berkeley National Laboratory; Lawrence Berkeley National Laboratory
Bugs Unlimited, LLC
Lawrence Berkeley National Laboratory
Subsurface Insights

Publication Date:: Tue Dec 31 23:00:00 EST 2024

Other Number(s):: 10.15485/1668055; paf_450_862

DOE Contract Number:: AC02-05CH11231

Research Org.:: Environmental System Science Data Infrastructure for a Virtual Ecosystem; Watershed Function SFA

Sponsoring Org.:: U.S. DOE > Office of Science > Biological and Environmental Research (BER)

Subject:: 54 ENVIRONMENTAL SCIENCES; Cations; EARTH SCIENCE > TERRESTRIAL HYDROSPHERE > GROUND WATER; EARTH SCIENCE > TERRESTRIAL HYDROSPHERE > GROUND WATER > GROUNDWATER CHEMISTRY; EARTH SCIENCE > TERRESTRIAL HYDROSPHERE > SURFACE WATER; EARTH SCIENCE > TERRESTRIAL HYDROSPHERE > SURFACE WATER > SURFACE WATER CHEMISTRY; ESS-DIVE CSV File Formatting Guidelines Reporting Format; ESS-DIVE File Level Metadata Reporting Format; Long Term Data; cation; geochemical; ground water; icpms; surface water

OSTI Identifier:: 1668055

DOI:: https://doi.org/10.15485/1668055

Citation Formats


                    Dong, Wenming, Beutler, Curtis, Brown, Wendy, Newman, Alexander, O'Ryan, Dylan, Shirley, Austin, Versteeg, Roelof, and Williams, Kenneth. Cation Data for the East River Watershed, Colorado (2014-2024).  United States: N. p., 2024. 
        Web.  doi:10.15485/1668055.

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                    Dong, Wenming, Beutler, Curtis, Brown, Wendy, Newman, Alexander, O'Ryan, Dylan, Shirley, Austin, Versteeg, Roelof, & Williams, Kenneth. Cation Data for the East River Watershed, Colorado (2014-2024).  United States.  doi:https://doi.org/10.15485/1668055

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                    Dong, Wenming, Beutler, Curtis, Brown, Wendy, Newman, Alexander, O'Ryan, Dylan, Shirley, Austin, Versteeg, Roelof, and Williams, Kenneth. 2024.  
"Cation Data for the East River Watershed, Colorado (2014-2024)".  United States.  doi:https://doi.org/10.15485/1668055.  https://www.osti.gov/servlets/purl/1668055. Pub date:Tue Dec 31 23:00:00 EST 2024

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@article{osti_1668055,

  title        = {Cation Data for the East River Watershed, Colorado (2014-2024)},

  author       = {Dong, Wenming and Beutler, Curtis and Brown, Wendy and Newman, Alexander and O'Ryan, Dylan and Shirley, Austin and Versteeg, Roelof and Williams, Kenneth},

  abstractNote = {This data package contains mean values for cation concentration for water samples taken from the East River Watershed in Colorado. Inductively coupled plasma mass spectrometry (ICP-MS) has been used to measure the concentrations of elements of interest simultaneously for the East River Watershed, Colorado groundwater and surface water samples to inform insights on the biogeochemistry processes within the watershed. The East River is part of the Watershed Function Scientific Focus Area (WFSFA) located in the Upper Colorado River Basin, United States. For samples before November 2021, the instrumentation, Elan DRC II, PerkinElmer SCIEX, automatically switches among the three models necessary to analyze all 37 elements. These 37 elements include: (1) Lithium (Li), Beryllium (Be), Boron (B), Sodium (Na), Magnesium (Mg), Aluminium (Al), Silicon (Si), Phosphorus (P), Titanium (Ti), Cobalt (Co), Nickel (Ni), Copper (Cu), Zinc (Zn), Germanium (Ge), Arsenic (As), Rubidium (Rb), Strontium (Sr), Zirconium (Zr), Molybdenum (Mo), Silver (Ag), Cadmium (Cd), Tin (Sn), Antimony (Sb), Caesium (Cs), Barium (Ba), Europium (Eu), Lead (Pb), Thorium (Th), Uranium (U) using standard model, argon Ar as reaction gas, (2) Potassium (K), Calcium (Ca), Vanadium (V), Chromium (Cr), Manganese (Mn), Iron (Fe) using dynamic reaction cell (DRC) model, ammonia NH3 as reaction gas, and (3) Phosphorus (P) and Selenium (Se) using DRC model, oxygen O2 as reaction gas. Note for the samples with higher concentrations of chloride (Cl-), asenic (As) concentrations were analysed with DRC model (oxygen O2 as reaction gas) to avoid the interference of chloride. For samples starting in November 2021, an advanced Agilent 8900 triple quadrupole inductively coupled plasma mass spectrometry system (Agilent 8900 QQQ ICP-MS, Agilent Technologies) has been used to measure the concentrations of interested 36 elements simultaneously for environmental samples, including (1) Lithium (Li), Beryllium (Be) and Boron (B) using standard no gas mode, (2) Sodium (Na), Magnesium (Mg), Aluminium (Al) Phosphorus (P), Potassium (K), Chromium (Cr), Manganese (Mn), Iron (Fe), Cobalt (Co), Nickel (Ni), Copper (Cu), Zinc (Zn), Germanium (Ge), Arsenic (As), Rubidium (Rb), Strontium (Sr), Zirconium (Zr), Molybdenum (Mo), Silver (Ag), Cadmium (Cd), Tin (Sn), Antimony (Sb), Cesium (Cs), Barium (Ba), Europium (Eu), Lead (Pb), Thorium (Th) and Uranium (U) using standard helium (He) collision mode, (3) Titanium (Ti) and Vanadium (V) using high Energy (HEHe) helium (He) collision mode, and (4) Silicon (Si), Calcium (Ca) and Selenium (Se) using standard H2 reaction mode. All samples were prepared/diluted with 2% (v/v) ultrapure nitric acid in Milli-Q water (18.2 mega ohm-cm), and analyzed under a rigorous quality assurance and quality control (QA/QC) process. This data package contains (1) a zip file (cation_data_2014-2024.zip) containing a total of 5,957 files: 5,956 data files of cation data from across the Lawrence Berkeley National Laboratory (LBNL) Watershed Function Scientific Focus Area (SFA) which is reported in .csv files per location and a locations.csv (1 file) with latitude and longitude for each location; (2) a file-level metadata (v5_20250515_flmd.csv) file that lists each file contained in the dataset with associated metadata; (3) a data dictionary (v5_20250515_dd.csv) file that contains terms/column_headers used throughout the files along with a definition, units, and data type; (4) PDF and docx files for the detemination of Method Detection Limits (MDLs) for ICP-MS PerkinElmer DRC II instrumentation (Detemination_of_Method_Detection_Limits__MDLs__for_ICP_MS__PerkinElmer_Elan_DRC_II__LBL_Bldg74_Lab214D) for samples before November 2021; (5) PDF and docx files for the determination of MDLs for ICP-MS Agilent 8900 QQQ instrumentation (ICP-MS_Analysis_detection_limits_and_QA-QC_WenmingDong_updated2024_jan_02) for samples November 2021 and onward. Missing values within the anion data files are noted as either "-9999" or "0.0" for not detectable (N.D.) data. There are a total of 112 locations containing cation data.Update on 2021-04-11: Added Detemination of Method Detection Limits (MDLs) for ICP-MS document, which can be accessed as a PDF or with Microsoft Word.Update on 2022-06-10: versioned updates to this dataset was made along with these changes: (1) updated cation data for all locations up to 2021-12-31, (2) removal of units from column headers in datafiles, (3) added row underneath headers to contain units of variables, (4) removed suffix and prefix on two variables (“aqberylliumion_asberyllium” and “aqlithiumion_aslithium”), (5) added -9999 for empty numerical cells, and (6) the addition of the file-level metadata (flmd.csv) and data dictionary (dd.csv) were added to comply with the File-Level Metadata Reporting Format.Update on 2022-09-09: Updates were made to reporting format specific files (file-level metadata and data dictionary) to correct swapped file names, add additional details on metadata descriptions on both files, add a header_row column to enable parsing, and add version number and date to file names (v2_20220909_flmd.csv and v2_20220909_dd.csv).Update on 2023-08-08: Updates were made to both the data files and reporting format specific files. New available anion data was added, up until 2023-01-05. The file level metadata and data dictionary files were updated to reflect the additional data added.Update on 2024-03-11: Updates were made to both the data files and reporting format specific files. New available anion data was added, up until 2023-10-16. Further, revisions to the data files were made to remove incorrect data points (from 1970 and 2001). The reporting format specific files were updated to reflect the additional data added. Updated versions of the PDF and docx files for determination of MDLs for ICP-MS data were added to this dataset for samples starting in November 2021.Update on 2025-05-15: Updates were made to both the data files and reporting format specific files. New available cation data was added, up until the end of WY2024 (September 30, 2024). International Generic Sample Numbers (IGSNs), when registered, were added to the data files. The reporting format specific files were updated to reflect the additional data added.},

  doi          = {10.15485/1668055},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Dec 31 23:00:00 EST 2024},

  month        = {Tue Dec 31 23:00:00 EST 2024}

}

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DOI: https://doi.org/10.15485/1668055

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