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Dissolved inorganic carbon, total alkalinity, pH on Total Scale, nutrients and other variables collected from profile and discrete sample observations using CTD, Niskin bottle and other instruments during NOAA Ship Gordon Gunter cruise GU1804 (EXPOCODE 33GG20180822) in the North Atlantic Ocean, Gulf of Maine, Georges Bank, and Mid-Atlantic Bight from 2018-08-22 to 2018-08-31 (NCEI Accession 0188876)

INVESTIGATORS:
Rik Wanninkhof ORCID logo - NOAA Atlantic Oceanographic and Meteorological Laboratory (AOML)
Leticia Barbero ORCID logo - NOAA Atlantic Oceanographic and Meteorological Laboratory (AOML)
Donald C. Melrose - NMFS/NEFSC/Narragansett Lab
Denis Pierrot ORCID logo - NOAA Atlantic Oceanographic and Meteorological Laboratory (AOML)
Christopher C. Taylor - NMFS/NEFSC/Narragansett Lab
Paula S. Fratantoni - US DOC; NOAA; NMFS; Northeast Fisheries Science Center (NMFS/NEFSC)
Harvey J. Walsh - US DOC; NOAA; NMFS; Northeast Fisheries Science Center (NMFS/NEFSC)
David W. Townsend - University of Maine (UMO)
Maura A. Thomas - University of Maine (UMO)

PACKAGE DESCRIPTION: This dataset contains dissolved inorganic carbon, total alkalinity, pH on total scale, nutrients and other variables measured from profile discrete observations during NOAA Ship Gordon Gunter cruise GU1804 (EXPOCODE 33GG20180822) in the North Atlantic Ocean, Gulf of Maine, Georges Bank, and Mid-Atlantic Bight from 2018-08-22 to 2018-08-31. Increasing amounts of atmospheric carbon dioxide from human industrial activities are causing changes in global ocean carbon chemistry ultimately resulting in a reduction in pH, a process termed ocean acidification. Studies have demonstrated adverse effects on calcifying organisms, particularly some invertebrates, corals, sea urchins, pteropods, and coccolithophores, but also on species of commercial interest such as oysters or crabs. In support of the coastal monitoring and research objectives of the NOAA Ocean Acidification Program (OAP), the Ecosystem Monitoring Cruises (ECOMON) are utilized to collect water samples to measure water column inorganic carbon and hydrographic parameters including nutrients. Samples are collected at three depths (surface, mid-depth and near bottom) at select stations on a quarterly basis in the northeastern Atlantic continental shelf region off the United States. Water samples are sent to and analyzed by scientists at the Atlantic Oceanographic and Meteorological Laboratory (AOML) for dissolved inorganic carbon, pH and total alkalinity concentrations. Additional samples are analyzed for nutrient concentrations at the University of Maine. These data are used to monitor short-long term coastal ocean acidification trends.

CITE AS: Barbero, Leticia; Wanninkhof, Rik; Pierrot, Denis; Melrose, Donald C.; Fratantoni, Paula S.; Walsh, Harvey J.; Townsend, David W.; Thomas, Maura A.; Taylor, Christopher C. (2019). Dissolved inorganic carbon, total alkalinity, pH on Total Scale, nutrients and other variables collected from profile and discrete sample observations using CTD, Niskin bottle and other instruments during NOAA Ship Gordon Gunter cruise GU1804 (EXPOCODE 33GG20180822) in the North Atlantic Ocean, Gulf of Maine, Georges Bank, and Mid-Atlantic Bight from 2018-08-22 to 2018-08-31 (NCEI Accession 0188876). [indicate subset used]. NOAA National Centers for Environmental Information. Dataset. https://doi.org/10.25921/6at2-r476. Accessed [date].


DATA PACKAGES RELATED TO THIS ONE:
IDENTIFICATION INFORMATION FOR THIS DATA PACKAGE:
NCEI ACCESSION: 0188876
NCEI DOI: https://doi.org/10.25921/6at2-r476
EXPOCODE: 33GG20180822;
CRUISE ID: GU1804;
SECTION/LEG: Coastal Program;

TYPES OF STUDY:
Discrete measurement;Profile;

TEMPORAL COVERAGE:
START DATE: 2018-08-22
END DATE: 2018-08-31

SPATIAL COVERAGE:
NORTH: 41.52
WEST: -75.01
EAST: -67.66
SOUTH: 37.66

GEOGRAPHIC NAMES:
Gulf of Maine;Georges Bank;Mid-Atlantic Bight;

PLATFORMS:
Gordon Gunter (ID: 33GG);

RESEARCH PROJECT(S):
none;


VARIABLES / PARAMETERS:

Dissolved Inorganic Carbon
Abbreviation: DIC
Unit: micro-mol/kg
Observation type: Profile and Flow Through (FT)
In-situ / Manipulation / Response variable: In-situ observation
Measured or calculated: Measured
Sampling instrument: Niskin bottle
Analyzing instrument: Two systems consisting of a coulometer (UIC Inc.) coupled with a Dissolved Inorganic Carbon Extractor (DICE) inlet system. DICE was developed by Esa Peltola and Denis Pierrot of NOAA/AOML and Dana Greeley of NOAA/PMEL to modernize a carbon extractor called SOMMA (Johnson et al. 1985, 1987, 1993, and 1999; Johnson 1992)
Detailed sampling and analyzing information: Samples for total dissolved inorganic carbon (DIC) measurements were drawn according to procedures outlined in the Guide to best practices for ocean CO2 measurements (Dickson et al., 2007) from Niskin bottles into cleaned 500-ml glass bottles. Bottles were rinsed and filled from the bottom, leaving 6 ml of headspace; care was taken not to entrain any bubbles. After 0.2 ml of saturated HgCl2 solution was added as a preservative, the sample bottles were sealed with glass stoppers lightly covered with Apiezon-L grease and were stored at room temperature to be sent back to the lab for analysis after the cruise. The analysis was done by coulometry with two analytical systems (AOML5 and AOML6) used simultaneously. In the coulometric analysis of DIC, all carbonate species are converted to CO2 (gas) by addition of excess hydrogen ion (acid) to the seawater sample, and the evolved CO2 gas is swept into the titration cell of the coulometer with pure air or compressed nitrogen, where it reacts quantitatively with a proprietary reagent based on ethanolamine to generate hydrogen ions. In this process, the solution changes from blue to colorless, triggering a current through the cell and causing coulometrical generation of OH minus ions at the anode. The OH ions react with the H+, and the solution turns blue again. A beam of light is shone through the solution, and a photometric detector at the opposite side of the cell senses the change in transmission. Once the percent transmission reaches its original value, the coulometric titration is stopped, and the amount of CO2 that enters the cell is determined by integrating the total charge during the titration. The volume of the pipette used to deliver the sample in each system was determined with aliquots of distilled water at known temperature. The weights with the appropriate densities were used to determine the volume of the pipette. Calculation of the amount of CO2 injected was according to the CO2 handbook (Dickson et al., 2007).The instrument has a salinity sensor, but all DIC values were recalculated to a molar weight (micro-mol/kg) using density obtained from the CTD salinity. The DIC values were corrected for dilution by 0.2 ml of saturated HgCl2 used for sample preservation (Measured DIC*1.00037). A correction was also applied for the offset from the CRM. This additive correction was applied for each cell using the CRM value obtained in the beginning of the cell. Please consult the accompanying Readme file for additional details.
Replicate information: 60 samples each 500-ml, 5 sets of duplicate samples.
Standardization description: The coulometers were calibrated by injecting aliquots of pure CO2 (99.99%) by means of an 8-port valve outfitted with two sample loops with known gas volumes bracketing the amount of CO2 extracted from the water samples for the two AOML systems.
Standardization frequency: The stability of each coulometer cell solution was confirmed three different ways: two sets of gas loops were measured at the beginning; also the Certified Reference Material (CRM), supplied by Dr. A. Dickson of UCSD, were measured at the beginning; and the duplicate samples at the beginning, middle, and end of each cell solution. The coulometer cell solution was replaced after 25 mg of carbon was titrated, typically after 9 to 12 hours of continuous use.
CRM manufacturer: Dr. A. Dickson of UCSD
CRM batch number: Batch 150
Preservation method: saturated HgCl2
Preservative volume: 0.2 ml
Preservative correction: The DIC values were corrected for dilution by 0.2 ml of saturated HgCl2 used for sample preservation. The total water volume of the sample bottles was 500 ml (calibrated by Esa Peltola, AOML). The correction factor used for dilution was 1.00037.
Quality flag convention: WOCE quality control flags are used: 2 = good value, 3 = questionable value, 4 = bad value, 5 = value not reported, 6 = mean of replicate measurements, 9 = sample not drawn.
Method reference: Dickson, A.G., Sabine, C.L. and Christian, J.R. (Eds.) 2007. Guide to best practices for ocean CO2 measurements. PICES Special Publication 3, 191 pp. Johnson, K.M., Kortzinger, A.; Mintrop, L.; Duinker, J.C.; and Wallace, D.W.R. (1999). Coulometric total carbon dioxide analysis for marine studies: Measurement and internal consistency of underway surface TCO2 concentrations. Marine Chemistry 67:123 to 44. Johnson, K.M., Wills, K.D.; Butler, D.B.; Johnson, W.K.; and Wong, C.S. (1993). Coulometric total carbon dioxide analysis for marine studies: Maximizing the performance of an automated gas extraction. Johnson, K.M. (1992). Operator Manual: Single-Operator Multiparameter Metabolic Analyzer (SOMMA) for Total Carbon Dioxide (CT) with Coulometric Detection. Brookhaven National Laboratory, Brookhaven, N.Y. Johnson, K.M.; Williams, P.J.; Brandstrom, L.; and McN. Sieburth, J. (1987). Coulometric total carbon analysis for marine studies: Automation and calibration. Marine Chemistry 21:117 to 33.
Researcher name: Rik Wanninkhof
Researcher institution: Atlantic Oceanographic and Meteorological Laboratory, National Oceanic and Atmospheric Administration (NOAA)
Total alkalinity
Abbreviation: TAlk
Unit: micro-mol/kg
Observation type: Profile and Flow Through (FT)
In-situ / Manipulation / Response variable: In-situ observation
Measured or calculated: Measured
Sampling instrument: Niskin bottle
Analyzing instrument: Semi-automatic titration systems, System 1 consists of a Metrohm 765 Dosimat titrator, a pH meter (Orion 720A, ThermoScientific), a ROSS half cell pH glass electrode (Orion 9101BN, ThermoScientific) and a reference electrode (Orion 900200, ThermoScientific). System 2 consists of a Metrohm 665 Dosimat titrator, a pH meter (Orion 2 star pH Benchtop, ThermoScientific), a ROSS half cell pH glass electrode (Orion 9101BN, ThermoScientific) and a reference electrode (Orion 900200, ThermoScientific).
Type of titration: Full Titration
Cell type (open or closed): Open
Curve fitting method: Least-Square Analysis
Detailed sampling and analyzing information: All of the samples were run using leftover water from the same sample bottles used for DIC and pH. Please refer to DIC for detailed information on sampling and conservation of samples. For each measurement, approximately 200 ml of water sample were titrated with an HCl solution provided by Dr. Andrew Dickson of UCSD (0.25175 moles per kilogram-solution). Please consult the accompanying Readme file for additional details.
Replicate information: 60 samples each 500-ml, 5 sets of duplicate samples.
Standardization description: 2 CRM samples were run daily on each cell, before and after the seawater samples. The Total Alkalinity for the water samples was corrected using the daily averaged ratios between the certified and measured values of the 2 CRMs run on each cell. This TA titration system has a precision of 0.1 %. All the TA values were directly measured with reference to Certified Reference Material. The accuracy after correction is 0.1%. Please check attached pdf for more details.
Standardization frequency: All values were directly measured with reference to Certified Reference Material (Dickson, UCSD). 2 CRM samples were run daily on each cell.
CRM manufacturer: Dr. A. Dickson of UCSD
CRM batch number: CRM batch: 150
Preservation method: saturated HgCl2
Preservative volume: 0.2 ml
Uncertainty: The precision of this method is better than 0.1% and accuracy is 0.1%.
Quality flag convention: WOCE quality control flags are used: 2 = good value, 3 = questionable value, 4 = bad value, 5 = value not reported, 6 = mean of replicate measurements, 9 = sample not drawn.
Method reference: Millero, F. J., Zhang, J. Z., Lee, K., and Campbell, D. M. (1993). Titration alkalinity of seawater. Marine Chemistry, 44(2), 153-165.
Researcher name: Rik Wanninkhof
Researcher institution: Atlantic Oceanographic and Meteorological Laboratory, National Oceanic and Atmospheric Administration (NOAA)
pH
Abbreviation: pH
pH scale: Total
Observation type: Profile and Flow Through (FT)
In-situ / Manipulation / Response variable: In-situ observation
Measured or calculated: Measured
Sampling instrument: Niskin bottle
Analyzing instrument: Agilent 8453 spectrometer setup with a custom-made temperature-controlled cell holder
Temperature of pH measurement: 20 (+/- 0.05) degrees Celsius
Detailed sampling and analyzing information: The same sample bottle was used for pH, DIC and Talk analyses, with pH being analyzed first. The samples were fixed with HgCl2 (refer to DIC for more information on sampling and storage). Samples were thermostated at 20 (+/- 0.05) degrees Celsius in a water bath. Approximately 80 ml of sample were extracted from each DIC sample bottle by syringe before DIC analysis to determine the pH. Temperature for each sample was measured before analysis using a Hart Scientific Fluke 1523 reference thermometer. Absorbance blanks were taken for each sample and 10 micro liter of purified m-cresol purple (10 mmol kg-1) were added for the analysis. The equations of Liu et al, 2011 formulated using the purified m-cresol purple indicator were used to determine pH of the samples. pH samples were analyzed at 20C. Please check accompanying readme file for additional details.
Replicate information: 60 samples each 500-ml, 5 sets of duplicate samples.
Standardization description: The pH is calibration-free.
At what temperature was pH reported: 25 degrees Celsius
Uncertainty: Please check attached pdf for more details
Quality flag convention: WOCE quality control flags are used: 2 = good value, 3 = questionable value, 4 = bad value, 5 = value not reported, 6 = mean of replicate measurements, 9 = sample not drawn.
Method reference: Liu, X.; Patsavas, M.C.; and Byrne, R. H. (2011). Purification and characterization of meta-cresol purple for spectrophotometric seawater pH measurements. Environmental Science and Technology, 45(11), 4862-4868. https://doi.org/10.1021/es200665d
Researcher name: Rik Wanninkhof
Researcher institution: Atlantic Oceanographic and Meteorological Laboratory, National Oceanic and Atmospheric Administration (NOAA)
Depth of water at station
Abbreviation: Depth_station
Unit: meters
Observation type: Profile
In-situ / Manipulation / Response variable: Surface underway and profile
Measured or calculated: Measured or calculated
Calculation method and parameters: Calculated from ETOPO1 global relief (http://www.ngdc.noaa.gov/mgg/global/global.html) when sounder or altimeter data not available
Sampling instrument: Sounder or altimeter, models vary
Detailed sampling and analyzing information: Ship based sounder used when available. Depth from an altimeter on the CTD may also be used. Where neither of theses sources were available (typically due to water depth exceeding sounder's detection limit), depth may be estimated using the ETOPO1 bathymetry.
Uncertainty: Uncertainty varies with source
Quality flag convention: -999 indicates bad or missing data
Researcher name: D. Christopher Melrose
Researcher institution: NOAA Northeast Fisheries Science Center
Depth of water at sample collection
Abbreviation: Depth_sampling
Unit: meters
Observation type: Profile
In-situ / Manipulation / Response variable: In-situ observation
Measured or calculated: Measured
Sampling instrument: SBE 911plus CTD
Uncertainty: plus or minus 1 meter (data has also been vertically binaveraged to 1 decibar bins)
Quality flag convention: -999 indicates bad or missing data
Researcher name: D. Christopher Melrose
Researcher institution: NOAA Northeast Fisheries Science Center
Water pressure
Abbreviation: CTDPRS
Unit: decibars
Observation type: Profile
In-situ / Manipulation / Response variable: In-situ observation
Measured or calculated: Measured
Sampling instrument: SBE 911plus CTD
Uncertainty: plus or minus decibar (data has also been vertically binaveraged to 1 decibar bins)
Quality flag convention: -999 indicates bad or missing data
Researcher name: D. Christopher Melrose
Researcher institution: NOAA Northeast Fisheries Science Center
Water temperature
Abbreviation: CTDTMP
Unit: degrees celsius (ITS-90)
Observation type: Profile
In-situ / Manipulation / Response variable: In-situ observation
Measured or calculated: Measured
Sampling instrument: SBE 911plus CTD
Uncertainty: plus or minus 0.001 degrees celsius
Quality flag convention: -999 indicates bad or missing data
Researcher name: D. Christopher Melrose
Researcher institution: NOAA Northeast Fisheries Science Center
Salinity
Abbreviation: CTDSAL
Unit: practical salinity scale of 1978
Observation type: Profile
In-situ / Manipulation / Response variable: In-situ observation
Measured or calculated: Seasave 7, calculated from temperature and conductivity
Sampling instrument: SBE 911plus CTD
Detailed sampling and analyzing information: CTD Salinity values were validated using water samples collected during profiles. Corrections were applied when needed.
Uncertainty: plus or minus 0.01 PSS-78
Quality flag convention: -999 indicates bad or missing data
Researcher name: D. Christopher Melrose
Researcher institution: NOAA Northeast Fisheries Science Center
Potential density at surface pressure
Abbreviation: Sigma-Theta
Unit: kilograms per cubic meter minus 1000
Observation type: Profile
In-situ / Manipulation / Response variable: In-situ observation
Measured or calculated: Calculated
Calculation method and parameters: SeaBird Seasave 7 from measured temperature, conductivity and pressure
Sampling instrument: SBE 911plus CTD
Uncertainty: plus or minus 0.01 kilograms per cubic meter
Quality flag convention: -999 indicates bad or missing data
Researcher name: D. Christopher Melrose
Researcher institution: NOAA Northeast Fisheries Science Center
Dissolved Oxygen
Abbreviation: CTDOXYmg
Unit: milligrams per liter
Observation type: Profile
Measured or calculated: Measured
Sampling instrument: SBE-43 dissolved oxygen sensor
Uncertainty: plus or minus 2 percent of saturation
Quality flag convention: -999 indicates bad or missing data
Researcher name: D. Christopher Melrose
Researcher institution: NOAA Northeast Fisheries Science Center
Dissolved Oxygen
Abbreviation: CTDOXY
Unit: micromoles per kilogram
Observation type: Profile
Measured or calculated: Measured
Sampling instrument: SBE-43 dissolved oxygen sensor
Uncertainty: plus or minus 2 percent of saturation
Quality flag convention: -999 indicates bad or missing data
Researcher name: D. Christopher Melrose
Researcher institution: NOAA Northeast Fisheries Science Center
Silicic acid concentration
Abbreviation: SILCAT
Unit: micromoles per kilogram
Observation type: Profile
In-situ / Manipulation / Response variable: In-situ observation
Measured or calculated: Measured
Sampling instrument: SeaBird 32 Carousel Water Sampler
Analyzing instrument: The samples are analyzed using a Bran-Luebbe Autoanalyzer 3
Detailed sampling and analyzing information: Water samples collected during vertical CTD profiles, analysis of Samples performed by Maura Thomas, University of Maine
Uncertainty: 0.22 micromolar detection limit
Quality flag convention: -999 indicates bad or missing data
Method reference: Whitledge, T.E., D.M. Veidt, S.C. Mallow, C.J. Patton, C.D. Wirick. 1986. Automated nutrient analyses in seawater. Brookhaven National Laboratory, Publication BNL 38990, 177 p.
Researcher name: David Townsend and Maura Thomas
Researcher institution: University of Maine
Nitrate and Nitrite total concentration
Abbreviation: NITRIT+NITRAT
Unit: micromoles per kilogram
Observation type: Profile
In-situ / Manipulation / Response variable: In-situ observation
Measured or calculated: Measured
Sampling instrument: SeaBird 32 Carousel Water Sampler
Analyzing instrument: The samples are analyzed using a Bran-Luebbe Autoanalyzer 3
Detailed sampling and analyzing information: Water samples collected during vertical CTD profiles, analysis of Samples performed by Maura Thomas, University of Maine
Uncertainty: 0.12 micromolar detection limit
Quality flag convention: -999 indicates bad or missing data
Method reference: Whitledge, T.E., D.M. Veidt, S.C. Mallow, C.J. Patton, C.D. Wirick. 1986. Automated nutrient analyses in seawater. Brookhaven National Laboratory, Publication BNL 38990, 177 p.
Researcher name: David Townsend and Maura Thomas
Researcher institution: University of Maine
Ammonia concentration
Abbreviation: AMMONIA
Unit: micromoles per kilogram
Observation type: Profile
In-situ / Manipulation / Response variable: In-situ observation
Measured or calculated: Measured
Sampling instrument: SeaBird 32 Carousel Water Sampler
Analyzing instrument: The samples are analyzed using a Bran-Luebbe Autoanalyzer 3
Detailed sampling and analyzing information: Water samples collected during vertical CTD profiles, analysis of Samples performed by Maura Thomas, University of Maine
Uncertainty: 0.14 micromolar detection limit
Quality flag convention: -999 indicates bad or missing data
Method reference: Whitledge, T.E., D.M. Veidt, S.C. Mallow, C.J. Patton, C.D. Wirick. 1986. Automated nutrient analyses in seawater. Brookhaven National Laboratory, Publication BNL 38990, 177 p.
Researcher name: David Townsend and Maura Thomas
Researcher institution: University of Maine
Phosphate concentration
Abbreviation: PHSPHT
Unit: micromoles per kilogram
Observation type: Profile
In-situ / Manipulation / Response variable: In-situ observation
Measured or calculated: Measured
Calculation method and parameters: SeaBird 32 Carousel Water Sampler
Sampling instrument: The samples are analyzed using a Bran-Luebbe Autoanalyzer 3
Duration: Water samples collected during vertical CTD profiles, analysis of Samples performed by Maura Thomas, University of Maine
Replicate information: 0.17 micromolar detection limit
Uncertainty: -999 indicates bad or missing data
Quality flag convention: Whitledge, T.E., D.M. Veidt, S.C. Mallow, C.J. Patton, C.D. Wirick. 1986. Automated nutrient analyses in seawater. Brookhaven National Laboratory, Publication BNL 38990, 177 p.
Researcher name: David Townsend and Maura Thomas
Researcher institution: University of Maine
Niskin bottle from where nutrients were sampled
Abbreviation: Niskin_nuts
Observation type: Profile
In-situ / Manipulation / Response variable: In-situ observation
Sampling instrument: SeaBird 32 Carousel Water Sampler
Analyzing instrument: The samples are analyzed using a Bran-Luebbe Autoanalyzer 3
Detailed sampling and analyzing information: Niskin bottle from where nutrients were sampled, often different from Niskin used for CO2 parameteres, but tripped at the same depth.

PUBLICATIONS DESCRIBING THIS DATASET:
none;
ADDITIONAL INFORMATION:
Please consult Readme file for additional information on analysis of carbon parameters. The most up to date version of this dataset is available at http://www.aoml.noaa.gov/ocd/gcc/shortcruises.htm
FUNDING AGENCY:
NOAA Ocean Acidification Program
PROJECT TITLE: Coastal Observations on the East Coast: Ocean Acidification Monitoring Network
PROJECT ID: OAPFY13.03.AOML.001
START DATE: 2011-10-01
END DATE: 2014-09-30
NOAA Ocean Acidification Program
PROJECT TITLE: Monitoring of OA on the Northeast U.S. Shelf (Melrose NEFSC)
PROJECT ID: 17909
START DATE: 2017-10-01
END DATE: 2020-09-30
NOAA's Ocean Acidification Program
PROJECT TITLE: East and Gulf Coast Ocean Acidification Observing Support. Monitoring of Water Column DIC, TAlk, and pH on the Northeast U.S. Shelf and the Development of Ocean Acidification Indicators to Inform Marine Resource Management
PROJECT ID:

SUBMITTED BY: Charles Featherstone (Charles.Featherstone@noaa.gov)

SUBMISSION DATE: 2018-11-26

REVISION DATE: 2022-06-04

PREVIOUS VERSIONS: Version 1.1Version 2.2Version 3.3Version 4.4