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            <gco:CharacterString>Cite this dataset as: Wang, Z. A., Song, S., Gonneea, M., Kroeger, K. (2020) Discrete bottle sample measurements for carbonate chemistry, organic alkalinity and organic carbon from samples collected in Waquoit Bay and Vineyard Sound, MA in 2016. Biological and Chemical Oceanography Data Management Office (BCO-DMO). (Version 1) Version Date 2020-02-25 [if applicable, indicate subset used]. doi:10.1575/1912/bco-dmo.794163.1 [access date]</gco:CharacterString>
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        <gco:CharacterString>Discrete bottle sample measurements for carbonate chemistry, organic alkalinity and organic carbon from samples collected in Waquoit Bay and Vineyard Sound, MA in 2016. Dataset Description:  Methods and Sampling: &amp;lt;p&amp;gt;Time-series bottle samples were collected from the Sage Lot Pond salt marsh tidal creek at approx. 41.5546N, 70.5071W. Samples were collected at ~0.2 m below the surface of tidal creek water every 1-2 h at the sampling site using a peristaltic or diaphragm pump for periods of a full tidal cycle (~12–14 h).Two coastal water samples were collected from the Woods Hole Oceanographic Institution Environmental Systems Laboratory intake, located about 1.6 km offshore in Vineyard Sound. Three goundwater samples were collected at the edge of Sage Lot Pond salt marsh at the elevation of 0.42 m, 0.75 m, and 1.66 m (NAVD88), corresponding to 0.56 m, 0.89 m, and 1.8 m below the land surface, respectively.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;The DIC, TA, and pH collection followed standard best practice procedures outlined by Dickson et al. (2007). OrgAlk sample collection followed the TA sampling protocol. Samples were collected through purgeable capsule filters with 0.45 um pore size (Farrwest Environmental Supply, Texas, USA) into 250 mL borosilicate bottles, poisoned with 100 uL saturated mercuric chloride, sealed with a HDPE screw top or a glass stopper coated with APIEZON® – L grease, and se- cured with a rubber band. Samples for DOC analysis were filtered through 0.45 um pore size polyethersulfone cartridge filters into combusted borosilicate glass vials with Teflon-lined silicone septa caps, acidified to pH &amp;amp;lt; 2 with hydrochloric acid and refrigerated until analysis.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;DIC was analyzed using an Apollo SciTech DIC auto-analyzer (Model AS-C3), which uses a nondispersive infrared (NDIR) method. The sample is acidified with a 10% phosphoric acid in 10% sodium chloride solution, and CO₂ is purged with high purity nitrogen gas and measured by a LI-COR 7000 infrared analyzer (LI-COR Environmental, Nebraska, USA). Certified Reference Material (CRM) from Dr. A. Dickson at Scripps Institution of Oceanography was used to calibrate the DIC auto-analyzer at least once daily. In addition, CRM was measured as a sample every few hours to gauge and correct any potential drift. The precision and accuracy of the instrument was ~ ± 2.0 μmol kg⁻¹.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;TA was measured with a Ross combination pH electrode and a pH meter (ORION 3 Star) to perform a modified Gran titration (Wang and Cai, 2004). The electrode and concentration of hydrochloric acid was calibrated every day. The CRMs were also measured as samples every few hours to correct any potential small drift. The accuracy and precision of the measurement was about 2.5±1.9 μmol kg⁻¹.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;The pH samples were measured with a UV-visible spectrophotometer (Agilent 8454, Agilent Technologies, USA) at 25 ± 0.1℃ using purified meta-cresol purple (mcp) as an indicator. The pH values are reported on the total proton concentration scale and converted from 25 ± 0.1℃ to in-situ temperature using measured DIC and the CO2SYS program (van Heuven et al., 2011). The mean uncertainty of the pH measurement was ± 0.006 (range 0.0003 ‒ 0.017), calculated as the mean difference between duplicate samples.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;OrgAlk concentration was determined with a digital syringe pump, a Ross combination pH electrode and a pH meter (ORION 3 Star), based on the procedure reported in Cai et al. (1998). OrgAlk sample was titrated with a calibrated HCl solution (~ 0.1 M) until the sample pH was below 3.0 (first titration). CO₂ in the sample was then removed by bubbling with high purity N₂ gas (99.999%) for ~ 10 minutes. The acidified sample was then titrated with 0.1 M NaOH solution back to its initial pH (back titration). The NaOH solution was prepared in DI water bubbled with high purity N₂ gas to prevent CO₂ dissolution into the solution. Finally, the sample was titrated with HCl again until its pH was below 3.0 (second titration). OrgAlk was calculated as the TA from the second titration minus the borate alkalinity. The mean difference of OrgAlk concentrations between duplicate samples was 2.8 ± 2.1 µmol kg⁻¹. Due to the existence of a small amount of CO₂ in the NaOH solution, the OrgAlk results were corrected by subtracting introduced carbonate alkalinity based on the volume of NaOH solution added during the back titration.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;DOC samples were analyzed on an O. I. Analytical Aurora 1030C Autoanalyzer by high-temperature catalytic oxidation followed by nondispersive infrared detection (HTCO-NDIR). Concentrations are reported relative to a potassium hydrogen phthalate (KHP) standard. Hansell deep seawater (University of Miami Hansell Laboratory, Lot# 01-14), and Suwannee River NOM (IHSS, Lot# 2R101N) reference materials were analyzed daily as additional checks on precision and accuracy of the analyses. Standards and reference materials typically vary by &amp;amp;lt; 5%.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;Tidal water samples for practical salinity were analyzed with a Guideline AutoSal instrument at Woods Hole Oceanographic Institution. A YSI EXO2 Sonde (YSI Inc., Ohio, USA) was submerged in the tidal creek to measure temperature and water depth. Groundwater salinity and temperature were measured with a YSI Pro30 (YSI Inc., Ohio, USA) during collection.The YSI EXO2 recorded at intervals ranging from 2 min to 8 min. Reported YSI EXO2 sensor accuracy specifications are: 1% of the reading for salinity and 0.05 °C for temperature.&amp;lt;/p&amp;gt;</gco:CharacterString>
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        <gmx:Anchor xlink:href="http://lod.bco-dmo.org/id/award/765031.rdf" xlink:title="OCE-1459521" xlink:actuate="onRequest">Funding provided by NSF Division of Ocean Sciences (NSF OCE) Award Number: OCE-1459521 Award URL: https://www.nsf.gov/awardsearch/show-award?AWD_ID=1459521</gmx:Anchor>
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                <gco:CharacterString>&amp;lt;p&amp;gt;Time-series bottle samples were collected from the Sage Lot Pond salt marsh tidal creek at approx. 41.5546N, 70.5071W. Samples were collected at ~0.2 m below the surface of tidal creek water every 1-2 h at the sampling site using a peristaltic or diaphragm pump for periods of a full tidal cycle (~12–14 h).Two coastal water samples were collected from the Woods Hole Oceanographic Institution Environmental Systems Laboratory intake, located about 1.6 km offshore in Vineyard Sound. Three goundwater samples were collected at the edge of Sage Lot Pond salt marsh at the elevation of 0.42 m, 0.75 m, and 1.66 m (NAVD88), corresponding to 0.56 m, 0.89 m, and 1.8 m below the land surface, respectively.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;The DIC, TA, and pH collection followed standard best practice procedures outlined by Dickson et al. (2007). OrgAlk sample collection followed the TA sampling protocol. Samples were collected through purgeable capsule filters with 0.45 um pore size (Farrwest Environmental Supply, Texas, USA) into 250 mL borosilicate bottles, poisoned with 100 uL saturated mercuric chloride, sealed with a HDPE screw top or a glass stopper coated with APIEZON® – L grease, and se- cured with a rubber band. Samples for DOC analysis were filtered through 0.45 um pore size polyethersulfone cartridge filters into combusted borosilicate glass vials with Teflon-lined silicone septa caps, acidified to pH &amp;amp;lt; 2 with hydrochloric acid and refrigerated until analysis.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;DIC was analyzed using an Apollo SciTech DIC auto-analyzer (Model AS-C3), which uses a nondispersive infrared (NDIR) method. The sample is acidified with a 10% phosphoric acid in 10% sodium chloride solution, and CO₂ is purged with high purity nitrogen gas and measured by a LI-COR 7000 infrared analyzer (LI-COR Environmental, Nebraska, USA). Certified Reference Material (CRM) from Dr. A. Dickson at Scripps Institution of Oceanography was used to calibrate the DIC auto-analyzer at least once daily. In addition, CRM was measured as a sample every few hours to gauge and correct any potential drift. The precision and accuracy of the instrument was ~ ± 2.0 μmol kg⁻¹.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;TA was measured with a Ross combination pH electrode and a pH meter (ORION 3 Star) to perform a modified Gran titration (Wang and Cai, 2004). The electrode and concentration of hydrochloric acid was calibrated every day. The CRMs were also measured as samples every few hours to correct any potential small drift. The accuracy and precision of the measurement was about 2.5±1.9 μmol kg⁻¹.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;The pH samples were measured with a UV-visible spectrophotometer (Agilent 8454, Agilent Technologies, USA) at 25 ± 0.1℃ using purified meta-cresol purple (mcp) as an indicator. The pH values are reported on the total proton concentration scale and converted from 25 ± 0.1℃ to in-situ temperature using measured DIC and the CO2SYS program (van Heuven et al., 2011). The mean uncertainty of the pH measurement was ± 0.006 (range 0.0003 ‒ 0.017), calculated as the mean difference between duplicate samples.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;OrgAlk concentration was determined with a digital syringe pump, a Ross combination pH electrode and a pH meter (ORION 3 Star), based on the procedure reported in Cai et al. (1998). OrgAlk sample was titrated with a calibrated HCl solution (~ 0.1 M) until the sample pH was below 3.0 (first titration). CO₂ in the sample was then removed by bubbling with high purity N₂ gas (99.999%) for ~ 10 minutes. The acidified sample was then titrated with 0.1 M NaOH solution back to its initial pH (back titration). The NaOH solution was prepared in DI water bubbled with high purity N₂ gas to prevent CO₂ dissolution into the solution. Finally, the sample was titrated with HCl again until its pH was below 3.0 (second titration). OrgAlk was calculated as the TA from the second titration minus the borate alkalinity. The mean difference of OrgAlk concentrations between duplicate samples was 2.8 ± 2.1 µmol kg⁻¹. Due to the existence of a small amount of CO₂ in the NaOH solution, the OrgAlk results were corrected by subtracting introduced carbonate alkalinity based on the volume of NaOH solution added during the back titration.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;DOC samples were analyzed on an O. I. Analytical Aurora 1030C Autoanalyzer by high-temperature catalytic oxidation followed by nondispersive infrared detection (HTCO-NDIR). Concentrations are reported relative to a potassium hydrogen phthalate (KHP) standard. Hansell deep seawater (University of Miami Hansell Laboratory, Lot# 01-14), and Suwannee River NOM (IHSS, Lot# 2R101N) reference materials were analyzed daily as additional checks on precision and accuracy of the analyses. Standards and reference materials typically vary by &amp;amp;lt; 5%.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;Tidal water samples for practical salinity were analyzed with a Guideline AutoSal instrument at Woods Hole Oceanographic Institution. A YSI EXO2 Sonde (YSI Inc., Ohio, USA) was submerged in the tidal creek to measure temperature and water depth. Groundwater salinity and temperature were measured with a YSI Pro30 (YSI Inc., Ohio, USA) during collection.The YSI EXO2 recorded at intervals ranging from 2 min to 8 min. Reported YSI EXO2 sensor accuracy specifications are: 1% of the reading for salinity and 0.05 °C for temperature.&amp;lt;/p&amp;gt;</gco:CharacterString>
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                <gco:CharacterString>&amp;lt;p&amp;gt;All EXO2 sensors were cleaned and calibrated regularly according to manufacturer recommended methods to maintain performance, and antifouling measures were deployed including copper and automated wiping. After a deployment period of 2–4 weeks, YSI EXO2 data were evaluated for fouling and calibration drift. The YSI EXO2 was recalibrated and a correction factor based on calibration standards was applied linearly across the deployment as needed. A maximum correction up to ± 30% of the calibration value was allowed or otherwise discarded (Wagner et al., 2006). Salinity and temperature values were interpolated to match the same time as the bottle sample collection.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;BCO-DMO Processing:&amp;lt;br /&amp;gt;
- added columns for sample_descrip, lat, and lon from header rows in original Excel file;&amp;lt;br /&amp;gt;
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            <gco:CharacterString>PI Supplied Instrument Name: LI-COR 7000 infrared analyzer Instrument Name: LI-COR LI-7000 Gas Analyzer Instrument Short Name:LI-COR LI-7000   Instrument Description: The LI-7000 gas analyzer is a differential, single source, non-dispersive, infrared gas analyzer. It has two solid state detectors, one each for CO2 and H2O, filters at 4.255 microns and 2.595 microns respectively. CO2 is measured in the range 0-3000ppm, with an accuracy of 1 percent nominally. H2O is measured in the range 0-60 mmol per mol, with an accuracy of one 1 percent. Community Standard Description: http://vocab.nerc.ac.uk/collection/L05/current/382/</gco:CharacterString>
          </gmi:description>
        </gmi:MI_Instrument>
      </gmi:instrument>
      <gmi:instrument>
        <gmi:MI_Instrument>
          <gmi:identifier>
            <gmd:MD_Identifier>
              <gmd:code>
                <gmx:Anchor xlink:href="http://lod.bco-dmo.org/id/instrument/674.rdf" xlink:title="pH Sensor" xlink:actuate="onRequest">ORION 3 Star pH electrode and pH meter</gmx:Anchor>
              </gmd:code>
            </gmd:MD_Identifier>
          </gmi:identifier>
          <gmi:type>
            <gco:CharacterString>ORION 3 Star pH electrode and pH meter</gco:CharacterString>
          </gmi:type>
          <gmi:description>
            <gco:CharacterString>PI Supplied Instrument Name: ORION 3 Star pH electrode and pH meter Instrument Name: pH Sensor Instrument Short Name:pH Sensor   Instrument Description: An instrument that measures the hydrogen ion activity in solutions.

The overall concentration of hydrogen ions is inversely related to its pH.  The pH scale ranges from 0 to 14 and indicates whether acidic (more H+) or basic (less H+). </gco:CharacterString>
          </gmi:description>
        </gmi:MI_Instrument>
      </gmi:instrument>
      <gmi:instrument>
        <gmi:MI_Instrument>
          <gmi:identifier>
            <gmd:MD_Identifier>
              <gmd:code>
                <gmx:Anchor xlink:href="http://lod.bco-dmo.org/id/instrument/726.rdf" xlink:title="Pump" xlink:actuate="onRequest">Peristaltic or diaphragm pump</gmx:Anchor>
              </gmd:code>
            </gmd:MD_Identifier>
          </gmi:identifier>
          <gmi:type>
            <gco:CharacterString>Peristaltic or diaphragm pump</gco:CharacterString>
          </gmi:type>
          <gmi:description>
            <gco:CharacterString>PI Supplied Instrument Name: Peristaltic or diaphragm pump Instrument Name: Pump Instrument Short Name:   Instrument Description: A pump is a device that moves fluids (liquids or gases), or sometimes slurries, by mechanical action. Pumps can be classified into three major groups according to the method they use to move the fluid: direct lift, displacement, and gravity pumps</gco:CharacterString>
          </gmi:description>
        </gmi:MI_Instrument>
      </gmi:instrument>
      <gmi:instrument>
        <gmi:MI_Instrument>
          <gmi:identifier>
            <gmd:MD_Identifier>
              <gmd:code>
                <gmx:Anchor xlink:href="http://lod.bco-dmo.org/id/instrument/707.rdf" xlink:title="Spectrophotometer" xlink:actuate="onRequest">Agilent 8454 UV-visible spectrophotometer</gmx:Anchor>
              </gmd:code>
            </gmd:MD_Identifier>
          </gmi:identifier>
          <gmi:type>
            <gco:CharacterString>Agilent 8454 UV-visible spectrophotometer</gco:CharacterString>
          </gmi:type>
          <gmi:description>
            <gco:CharacterString>PI Supplied Instrument Name: Agilent 8454 UV-visible spectrophotometer Instrument Name: Spectrophotometer Instrument Short Name:Spectrophotometer   Instrument Description: An instrument used to measure the relative absorption of electromagnetic radiation of different wavelengths in the near infra-red, visible and ultraviolet wavebands by samples. Community Standard Description: http://vocab.nerc.ac.uk/collection/L05/current/LAB20/</gco:CharacterString>
          </gmi:description>
        </gmi:MI_Instrument>
      </gmi:instrument>
      <gmi:instrument>
        <gmi:MI_Instrument>
          <gmi:identifier>
            <gmd:MD_Identifier>
              <gmd:code>
                <gmx:Anchor xlink:href="http://lod.bco-dmo.org/id/instrument/682.rdf" xlink:title="Titrator" xlink:actuate="onRequest"></gmx:Anchor>
              </gmd:code>
            </gmd:MD_Identifier>
          </gmi:identifier>
          <gmi:type>
            <gco:CharacterString></gco:CharacterString>
          </gmi:type>
          <gmi:description>
            <gco:CharacterString>PI Supplied Instrument Name:  Instrument Name: Titrator Instrument Short Name:Titrator   Instrument Description: Titrators are instruments that incrementally add quantified aliquots of a reagent to a sample until the end-point of a chemical reaction is reached. Community Standard Description: http://vocab.nerc.ac.uk/collection/L05/current/LAB12/</gco:CharacterString>
          </gmi:description>
        </gmi:MI_Instrument>
      </gmi:instrument>
      <gmi:instrument>
        <gmi:MI_Instrument>
          <gmi:identifier>
            <gmd:MD_Identifier>
              <gmd:code>
                <gmx:Anchor xlink:href="http://lod.bco-dmo.org/id/instrument/652.rdf" xlink:title="Total Organic Carbon Analyzer" xlink:actuate="onRequest">O.I. Analytical Aurora 1030C Autoanalyzer</gmx:Anchor>
              </gmd:code>
            </gmd:MD_Identifier>
          </gmi:identifier>
          <gmi:type>
            <gco:CharacterString>O.I. Analytical Aurora 1030C Autoanalyzer</gco:CharacterString>
          </gmi:type>
          <gmi:description>
            <gco:CharacterString>PI Supplied Instrument Name: O.I. Analytical Aurora 1030C Autoanalyzer Instrument Name: Total Organic Carbon Analyzer Instrument Short Name:TOC analyzer   Instrument Description: A unit that accurately determines the carbon concentrations of organic compounds typically by detecting and measuring its combustion product (CO2). See description document at: http://bcodata.whoi.edu/LaurentianGreatLakes_Chemistry/bs116.pdf Community Standard Description: http://vocab.nerc.ac.uk/collection/L05/current/LAB04/</gco:CharacterString>
          </gmi:description>
        </gmi:MI_Instrument>
      </gmi:instrument>
      <gmi:instrument>
        <gmi:MI_Instrument>
          <gmi:identifier>
            <gmd:MD_Identifier>
              <gmd:code>
                <gmx:Anchor xlink:href="http://lod.bco-dmo.org/id/instrument/768595.rdf" xlink:title="YSI EXO multiparameter water quality sondes" xlink:actuate="onRequest">YSI EXO2 Sonde</gmx:Anchor>
              </gmd:code>
            </gmd:MD_Identifier>
          </gmi:identifier>
          <gmi:type>
            <gco:CharacterString>YSI EXO2 Sonde</gco:CharacterString>
          </gmi:type>
          <gmi:description>
            <gco:CharacterString>PI Supplied Instrument Name: YSI EXO2 Sonde Instrument Name: YSI EXO multiparameter water quality sondes Instrument Short Name:YSI EXO   Instrument Description: Comprehensive multi-parameter, water-quality monitoring sondes designed for long-term monitoring, profiling and spot sampling. The EXO sondes are split into several categories: EXO1 Sonde, EXO2 Sonde, EXO3 Sonde. Each category has a slightly different design purpose with the EXO2 and EXO3 containing more sensor ports than the EXO1. Data are collected using up to four user-replaceable sensors and an integral pressure transducer. Users communicate with the sonde via a field cable to an EXO Handheld, via Bluetooth wireless connection to a PC, or a USB connection to a PC. Typical parameter specifications for relevant sensors include dissolved oxygen with ranges of 0-50 mg/l, with a resolution of +/- 0.1 mg/l, an accuracy of 1 percent of reading for values between 0-20 mg/l and an accuracy of +/- 5 percent of reading for values 20-50 mg/l. Temp ranges are from-5 to +50 degC, with an accuracy of +/- 0.001 degC. Conductivity has a range of 0-200 mS/cm, with an accuracy of +/-0.5 percent of reading + 0.001 mS/cm and a resolution of 0.0001 - 0.01 mS/cm.</gco:CharacterString>
          </gmi:description>
        </gmi:MI_Instrument>
      </gmi:instrument>
      </gmi:MI_AcquisitionInformation>
  </gmi:acquisitionInformation>
</gmi:MI_Metadata>
