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        <gco:CharacterString>This dataset contains a global gridded dataset of the surface ocean carbonate system for seasonal to decadal studies of ocean acidification (v2025). The full marine carbonate system is calculated from machine learning estimates of Total Alkalinity (TA) and the fugacity of carbon dioxide (fCO2). The surface-ocean fCO2 presented here is the ensemble mean of 16 two-step clustering-regression machine learning estimates. The ensemble is a combination of eight clustering instances and two regression methods. For the clustering, we use K-means clustering (21 clusters) repeated with different initiations, resulting in slightly different clusters. Two machine learning regression methods are applied to each of these clustering instances. These machine learning methods are feed-forward neural-network (FFNN), and gradient boosted machine using decision trees (GBDT). The average of the ensemble members is used as the final estimate. Further, the standard deviation of the ensemble members is an analog of the uncertainty. The same two-step clustering-regression approach is used to estimate TA. The final estimate is the mean of 16 ensemble members. Eight of the ensemble members estimate standard TA while the other half estimate salinity normalized TA (S0 ≈ 34.0). Each ensemble member has 12 clusters. Support vector regression (SVR) is used as the regression method. Again, the standard deviation of the ensemble members is an analog of the uncertainty. Total alkalinity and pCO2 are then used to solve for the remaining parameters of the marine carbonate system using the PyCO2SYS software. The temperature and salinity products used in this calculation are provided in the file. Phosphate and silicate from the interpolated World Ocean Atlas (2018) product were used. We use the following total scale for pH. The product extends from the start of 1982 to the end of 2024.</gco:CharacterString>
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            <gco:CharacterString>NCEI Accession 0220059 was revised and a new version of the archival package was published. Updates to existing archival packages may provide additional files or replace obsolete files. The latest version contains the most complete and up-to-date representation of this archival information package. All of the files received prior to this update are available in the preceding version of this accession. Please see journal.txt in the /about directory for additional details on changes made.</gco:CharacterString>
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            <gmx:Anchor xlink:href="https://www.ncei.noaa.gov/archive/archive-management-system/OAS/bin/prd/jquery/datatype/details/621" xlink:actuate="onRequest">CARBON - BICARBONATE</gmx:Anchor>
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          <gmd:keyword>
            <gmx:Anchor xlink:href="https://www.ncei.noaa.gov/archive/archive-management-system/OAS/bin/prd/jquery/datatype/details/588" xlink:actuate="onRequest">DISSOLVED INORGANIC CARBON (DIC)</gmx:Anchor>
          </gmd:keyword>
          <gmd:keyword>
            <gmx:Anchor xlink:href="https://www.ncei.noaa.gov/archive/archive-management-system/OAS/bin/prd/jquery/datatype/details/70" xlink:actuate="onRequest">partial pressure of carbon dioxide - water</gmx:Anchor>
          </gmd:keyword>
          <gmd:keyword>
            <gmx:Anchor xlink:href="https://www.ncei.noaa.gov/archive/archive-management-system/OAS/bin/prd/jquery/datatype/details/257" xlink:actuate="onRequest">pH</gmx:Anchor>
          </gmd:keyword>
          <gmd:keyword>
            <gmx:Anchor xlink:href="https://www.ncei.noaa.gov/archive/archive-management-system/OAS/bin/prd/jquery/datatype/details/307" xlink:actuate="onRequest">SALINITY</gmx:Anchor>
          </gmd:keyword>
          <gmd:keyword>
            <gmx:Anchor xlink:href="https://www.ncei.noaa.gov/archive/archive-management-system/OAS/bin/prd/jquery/datatype/details/5" xlink:actuate="onRequest">total alkalinity</gmx:Anchor>
          </gmd:keyword>
          <gmd:keyword>
            <gmx:Anchor xlink:href="https://www.ncei.noaa.gov/archive/archive-management-system/OAS/bin/prd/jquery/datatype/details/373" xlink:actuate="onRequest">WATER TEMPERATURE</gmx:Anchor>
          </gmd:keyword>
          <gmd:type>
            <gmd:MD_KeywordTypeCode codeList="https://data.noaa.gov/resources/iso19139/schema/resources/Codelist/gmxCodelists.xml#MD_KeywordTypeCode" codeListValue="theme">theme</gmd:MD_KeywordTypeCode>
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              <gmd:title>
                <gco:CharacterString>NODC DATA TYPES THESAURUS</gco:CharacterString>
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      </gmd:descriptiveKeywords>
      <gmd:descriptiveKeywords>
        <gmd:MD_Keywords>
          <gmd:keyword>
            <gmx:Anchor xlink:href="https://www.ncei.noaa.gov/archive/archive-management-system/OAS/bin/prd/jquery/insttype/details/183" xlink:actuate="onRequest">carbon dioxide (CO2) gas analyzer</gmx:Anchor>
          </gmd:keyword>
          <gmd:keyword>
            <gmx:Anchor xlink:href="https://www.ncei.noaa.gov/archive/archive-management-system/OAS/bin/prd/jquery/insttype/details/8" xlink:actuate="onRequest">CTD</gmx:Anchor>
          </gmd:keyword>
          <gmd:keyword>
            <gmx:Anchor xlink:href="https://www.ncei.noaa.gov/archive/archive-management-system/OAS/bin/prd/jquery/insttype/details/210" xlink:actuate="onRequest">Niskin bottle</gmx:Anchor>
          </gmd:keyword>
          <gmd:type>
            <gmd:MD_KeywordTypeCode codeList="https://data.noaa.gov/resources/iso19139/schema/resources/Codelist/gmxCodelists.xml#MD_KeywordTypeCode" codeListValue="instrument">instrument</gmd:MD_KeywordTypeCode>
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              <gmd:title>
                <gco:CharacterString>NODC INSTRUMENT TYPES THESAURUS</gco:CharacterString>
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      <gmd:descriptiveKeywords>
        <gmd:MD_Keywords>
          <gmd:keyword>
            <gmx:Anchor xlink:href="https://www.ncei.noaa.gov/archive/archive-management-system/OAS/bin/prd/jquery/obstype/details/46" xlink:actuate="onRequest">derived products</gmx:Anchor>
          </gmd:keyword>
          <gmd:type>
            <gmd:MD_KeywordTypeCode codeList="https://data.noaa.gov/resources/iso19139/schema/resources/Codelist/gmxCodelists.xml#MD_KeywordTypeCode" codeListValue="theme">theme</gmd:MD_KeywordTypeCode>
          </gmd:type>
          <gmd:thesaurusName>
            <gmd:CI_Citation>
              <gmd:title>
                <gco:CharacterString>NODC OBSERVATION TYPES THESAURUS</gco:CharacterString>
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              <gmd:date gco:nilReason="inapplicable" />
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      </gmd:descriptiveKeywords>
      <gmd:descriptiveKeywords>
        <gmd:MD_Keywords>
          <gmd:keyword>
            <gmx:Anchor xlink:href="https://www.ncei.noaa.gov/archive/archive-management-system/OAS/bin/prd/jquery/platform/details/1089" xlink:actuate="onRequest">VARIOUS CHARTERED VESSELS</gmx:Anchor>
          </gmd:keyword>
          <gmd:type>
            <gmd:MD_KeywordTypeCode codeList="https://data.noaa.gov/resources/iso19139/schema/resources/Codelist/gmxCodelists.xml#MD_KeywordTypeCode" codeListValue="platform">platform</gmd:MD_KeywordTypeCode>
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            <gmd:CI_Citation>
              <gmd:title>
                <gco:CharacterString>NODC PLATFORM NAMES THESAURUS</gco:CharacterString>
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      <gmd:descriptiveKeywords>
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            <gmx:Anchor xlink:href="https://www.ncei.noaa.gov/archive/archive-management-system/OAS/bin/prd/jquery/institution/details/1888" xlink:actuate="onRequest">ETH Zurich</gmx:Anchor>
          </gmd:keyword>
          <gmd:type>
            <gmd:MD_KeywordTypeCode codeList="https://data.noaa.gov/resources/iso19139/schema/resources/Codelist/gmxCodelists.xml#MD_KeywordTypeCode" codeListValue="dataCentre">dataCentre</gmd:MD_KeywordTypeCode>
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            <gmd:CI_Citation>
              <gmd:title>
                <gco:CharacterString>NODC COLLECTING INSTITUTION NAMES THESAURUS</gco:CharacterString>
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      <gmd:descriptiveKeywords>
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            <gmx:Anchor xlink:href="https://www.ncei.noaa.gov/archive/archive-management-system/OAS/bin/prd/jquery/institution/details/1888" xlink:actuate="onRequest">ETH Zurich</gmx:Anchor>
          </gmd:keyword>
          <gmd:type>
            <gmd:MD_KeywordTypeCode codeList="https://data.noaa.gov/resources/iso19139/schema/resources/Codelist/gmxCodelists.xml#MD_KeywordTypeCode" codeListValue="dataCentre">dataCentre</gmd:MD_KeywordTypeCode>
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                <gco:CharacterString>NODC SUBMITTING INSTITUTION NAMES THESAURUS</gco:CharacterString>
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            <gmx:Anchor xlink:href="https://www.ncei.noaa.gov/archive/archive-management-system/OAS/bin/prd/jquery/project/details/675" xlink:actuate="onRequest">US DOC; NOAA; Office of Oceanic and Atmospheric Research; Ocean Acidification Program (OAP)</gmx:Anchor>
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                <gco:CharacterString>Ocean Acidification Search Keywords</gco:CharacterString>
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                    <gco:Date>2026</gco:Date>
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                                    <gmd:URL>https://www.ncei.noaa.gov/archive/accession/0220059/6.6</gmd:URL>
                                  </gmd:linkage>
                                  <gmd:protocol>
                                    <gco:CharacterString>HTTPS</gco:CharacterString>
                                  </gmd:protocol>
                                  <gmd:name>
                                    <gco:CharacterString>NCEI Accession 0220059 v6.6</gco:CharacterString>
                                  </gmd:name>
                                  <gmd:description>
                                    <gco:CharacterString>published 2026-05-06T16:46:59Z</gco:CharacterString>
                                  </gmd:description>
                                  <gmd:function>
                                    <gmd:CI_OnLineFunctionCode codeList="https://data.noaa.gov/resources/iso19139/schema/resources/Codelist/gmxCodelists.xml#CI_OnLineFunctionCode" codeListValue="download">download</gmd:CI_OnLineFunctionCode>
                                  </gmd:function>
                                </gmd:CI_OnlineResource>
                              </gmd:onlineResource>
                            </gmd:CI_Contact>
                          </gmd:contactInfo>
                          <gmd:role gco:nilReason="inapplicable" />
                        </gmd:CI_ResponsibleParty>
                      </gmd:citedResponsibleParty>
                    </gmd:CI_Citation>
                  </gmd:sourceCitation>
                </gmi:LE_Source>
              </gmi:output>
            </gmi:LE_ProcessStep>
          </gmd:processStep>
        </gmd:LI_Lineage>
      </gmd:lineage>
    </gmd:DQ_DataQuality>
  </gmd:dataQualityInfo>
  <gmd:dataQualityInfo>
    <gmd:DQ_DataQuality>
      <gmd:scope>
        <gmd:DQ_Scope>
          <gmd:level>
            <gmd:MD_ScopeCode codeList="http://www.isotc211.org/2005/resources/Codelist/gmxCodelists.xml#MD_ScopeCode" codeListValue="dataset">dataset</gmd:MD_ScopeCode>
          </gmd:level>
        </gmd:DQ_Scope>
      </gmd:scope>
      <gmd:lineage>
        <gmd:LI_Lineage>
          <gmd:processStep>
            <gmi:LE_ProcessStep>
              <gmd:description>
                <gco:CharacterString>Parameter or Variable: Time;
Abbreviation: Time;
Unit: days since 1985-01-01;
Detailed sampling and analyzing information: min = 1985-01-01; max = 2022-12-15; calendar = proleptic_gregorian</gco:CharacterString>
              </gmd:description>
            </gmi:LE_ProcessStep>
          </gmd:processStep>
          <gmd:processStep>
            <gmi:LE_ProcessStep>
              <gmd:description>
                <gco:CharacterString>Parameter or Variable: Latitude;
Abbreviation: lat (180);
Unit: degrees_north;
Detailed sampling and analyzing information: min = -89.5; max = 89.5</gco:CharacterString>
              </gmd:description>
            </gmi:LE_ProcessStep>
          </gmd:processStep>
          <gmd:processStep>
            <gmi:LE_ProcessStep>
              <gmd:description>
                <gco:CharacterString>Parameter or Variable: Longitude;
Abbreviation: lon (360);
Unit: degrees_east;
Detailed sampling and analyzing information: min = -179.5; max = 179.5</gco:CharacterString>
              </gmd:description>
            </gmi:LE_ProcessStep>
          </gmd:processStep>
          <gmd:processStep>
            <gmi:LE_ProcessStep>
              <gmd:description>
                <gco:CharacterString>Parameter or Variable: surface_partial_pressure_of_carbon_dioxide_in_sea_water;
Abbreviation: pCO2;
Unit: µatm;
Detailed sampling and analyzing information: description: surface ocean partial pressure of carbon dioxide estimated with gradient boosted decision trees (lightGBM) and feed-forward neural network (scikit-learn); predictors: xCO2glob, timeSin, timeCos, chlog_globcolour_filled, sst_ostia, sss_soda, u10_era5, v10_era5, mld_holte; testing_years: [1985 1990 1995 2000 2005 2010 2015]; validation_years: [1987 1992 1997 2002 2007 2012 2017]</gco:CharacterString>
              </gmd:description>
            </gmi:LE_ProcessStep>
          </gmd:processStep>
          <gmd:processStep>
            <gmi:LE_ProcessStep>
              <gmd:description>
                <gco:CharacterString>Parameter or Variable: standard deviation of pCO2;
Abbreviation: pCO2std;
Unit: µatm;
Detailed sampling and analyzing information: description: standard deviation of the 16 pCO2 ensemble members as an analog of uncertainty</gco:CharacterString>
              </gmd:description>
            </gmi:LE_ProcessStep>
          </gmd:processStep>
          <gmd:processStep>
            <gmi:LE_ProcessStep>
              <gmd:description>
                <gco:CharacterString>Parameter or Variable: total_alkalinity_in_sea_water;
Abbreviation: TAlk;
Unit: µmol/kg;
Detailed sampling and analyzing information: description: Total alkalinity estimated with Support vector regression (scikit-learn); predictors: sst_ostia, sss_soda, nitrateStar_woa18, silicate_woa18, adt_aviso_clim; testing_years: [1986 1989 1992 1995 1998 2001 2004 2007 2010 2013 2016]; validation_years: [0]</gco:CharacterString>
              </gmd:description>
            </gmi:LE_ProcessStep>
          </gmd:processStep>
          <gmd:processStep>
            <gmi:LE_ProcessStep>
              <gmd:description>
                <gco:CharacterString>Parameter or Variable: standard deviation of total alkalinity;
Abbreviation: TAstd;
Unit: µmol/kg;
Detailed sampling and analyzing information: description: standard deviation of the 16 TA ensemble members as an analog of uncertainty</gco:CharacterString>
              </gmd:description>
            </gmi:LE_ProcessStep>
          </gmd:processStep>
          <gmd:processStep>
            <gmi:LE_ProcessStep>
              <gmd:description>
                <gco:CharacterString>Parameter or Variable: dissolved_inorganic_carbon_in_sea_water;
Abbreviation: DIC;
Unit: µmol/kg;
Detailed sampling and analyzing information: description: DIC calculated with pyCO2SYS</gco:CharacterString>
              </gmd:description>
            </gmi:LE_ProcessStep>
          </gmd:processStep>
          <gmd:processStep>
            <gmi:LE_ProcessStep>
              <gmd:description>
                <gco:CharacterString>Parameter or Variable: pH on total scale;
Abbreviation: pH;
Unit: -log(H+);
Detailed sampling and analyzing information: description: pH calculated with pyCO2SYS</gco:CharacterString>
              </gmd:description>
            </gmi:LE_ProcessStep>
          </gmd:processStep>
          <gmd:processStep>
            <gmi:LE_ProcessStep>
              <gmd:description>
                <gco:CharacterString>Parameter or Variable: Bicarbonate concentration;
Abbreviation: HCO3;
Unit: µmol/kg</gco:CharacterString>
              </gmd:description>
            </gmi:LE_ProcessStep>
          </gmd:processStep>
          <gmd:processStep>
            <gmi:LE_ProcessStep>
              <gmd:description>
                <gco:CharacterString>Parameter or Variable: omegaAr;
Abbreviation: omegaAR;
Unit: ratio</gco:CharacterString>
              </gmd:description>
            </gmi:LE_ProcessStep>
          </gmd:processStep>
          <gmd:processStep>
            <gmi:LE_ProcessStep>
              <gmd:description>
                <gco:CharacterString>Parameter or Variable: omegaAr;
Abbreviation: omegaAR;
Unit: ratio;
Detailed sampling and analyzing information: description: aragonite saturation state, where values below are theoretically undersaturated</gco:CharacterString>
              </gmd:description>
            </gmi:LE_ProcessStep>
          </gmd:processStep>
          <gmd:processStep>
            <gmi:LE_ProcessStep>
              <gmd:description>
                <gco:CharacterString>Parameter or Variable: omegaCa;
Abbreviation: omegaCA;
Unit: ratio;
Detailed sampling and analyzing information: description: calcite saturation state, where values below are theoretically undersaturated</gco:CharacterString>
              </gmd:description>
            </gmi:LE_ProcessStep>
          </gmd:processStep>
          <gmd:processStep>
            <gmi:LE_ProcessStep>
              <gmd:description>
                <gco:CharacterString>Parameter or Variable: sea_water_salinity, Practical Salinity;
Abbreviation: salinity;
Unit: psu;
Detailed sampling and analyzing information: source; https://www2.atmos.umd.edu/%7Eocean/index_files/soda3.4.2_mn_download_b.htm; title: MOM5_SODA_3.4.2.;
Method reference: Carton, J.A., G.A. Chepurin, and L. Chen, 2018a: SODA3: a new ocean climate reanalysis, J.Clim., 31, 6967-6983, https://doi.org/10.1175/JCLI-D-18-0149.1.</gco:CharacterString>
              </gmd:description>
            </gmi:LE_ProcessStep>
          </gmd:processStep>
          <gmd:processStep>
            <gmi:LE_ProcessStep>
              <gmd:description>
                <gco:CharacterString>Parameter or Variable: sea_surface_foundation_temperature;
Abbreviation: temperature;
Unit: degC;
Detailed sampling and analyzing information: title: OSTIA Sea Surface Temperature and Sea Ice Analysis; long_name: analysed sea surface temperature; entry_id: UKMO-L4HRfnd-GLOB-OSTIARAN; sst_type; foundation;
Method reference: Merchant, C. J., Embury, O., Bulgin, C. E., Block, T., Corlett, G. K., Fiedler, E., … Donlon, C. J. (2019). Satellite-based time-series of sea-surface temperature since 1981 for climate applications. Scientific Data, 6(1), 223. https://doi.org/10.1038/s41597-019-0236-x</gco:CharacterString>
              </gmd:description>
            </gmi:LE_ProcessStep>
          </gmd:processStep>
        </gmd:LI_Lineage>
      </gmd:lineage>
    </gmd:DQ_DataQuality>
  </gmd:dataQualityInfo>
  <gmd:metadataMaintenance>
    <gmd:MD_MaintenanceInformation>
      <gmd:maintenanceAndUpdateFrequency>
        <gmd:MD_MaintenanceFrequencyCode codeList="https://data.noaa.gov/resources/iso19139/schema/resources/Codelist/gmxCodelists.xml#MD_MaintenanceFrequencyCode" codeListValue="asNeeded">asNeeded</gmd:MD_MaintenanceFrequencyCode>
      </gmd:maintenanceAndUpdateFrequency>
      <gmd:maintenanceNote>
        <gco:CharacterString>Metadata are developed, maintained and distributed by NCEI. Updates are performed as needed to maintain currentness.</gco:CharacterString>
      </gmd:maintenanceNote>
      <gmd:contact>
        <gmd:CI_ResponsibleParty>
          <gmd:organisationName>
            <gco:CharacterString>NOAA National Centers for Environmental Information</gco:CharacterString>
          </gmd:organisationName>
          <gmd:role>
            <gmd:CI_RoleCode codeList="https://data.noaa.gov/resources/iso19139/schema/resources/Codelist/gmxCodelists.xml#CI_RoleCode" codeListValue="custodian">custodian</gmd:CI_RoleCode>
          </gmd:role>
        </gmd:CI_ResponsibleParty>
      </gmd:contact>
    </gmd:MD_MaintenanceInformation>
  </gmd:metadataMaintenance>
  <gmi:acquisitionInformation>
    <gmi:MI_AcquisitionInformation id="AMS">
      <gmi:instrument>
        <gmi:MI_Instrument id="inst_be58">
          <gmi:identifier>
            <gmd:MD_Identifier>
              <gmd:code>
                <gco:CharacterString>carbon dioxide (CO2) gas analyzer</gco:CharacterString>
              </gmd:code>
            </gmd:MD_Identifier>
          </gmi:identifier>
          <gmi:type>
            <gco:CharacterString>carbon dioxide (CO2) gas analyzer</gco:CharacterString>
          </gmi:type>
          <gmi:description>
            <gco:CharacterString>measures gaseous carbon dioxide

Carbon dioxide gas analyzer has often been referred to as LI-COR, because a lot of researchers choose to use products manufactured by LI-COR incorporation for their carbon dioxide measurement. The main component of a carbon dioxide analyzer is a nondispersive infrared (NDIR) spectroscopic sensors to detect CO2 in a gaseous environment by its characteristic absorption.

Carbon dioxide (CO2) gas analyzer works together with carbon dioxide (CO2) equilibrator (insttypes_id 184) to measure carbon dioxide in the water.

To measure water carbon dioxide, water needs to be continuously supplied to a showerhead inside an equilibrator. As the water flows through the equilibrator chamber, dissolved carbon dioxide exchanges quickly with air in the headspace. This air is then sampled by the carbon dioxide analyzer to determine the mole fraction of CO2 in water.</gco:CharacterString>
          </gmi:description>
        </gmi:MI_Instrument>
      </gmi:instrument>
      <gmi:instrument>
        <gmi:MI_Instrument id="inst_bee7">
          <gmi:identifier>
            <gmd:MD_Identifier>
              <gmd:code>
                <gco:CharacterString>CTD</gco:CharacterString>
              </gmd:code>
            </gmd:MD_Identifier>
          </gmi:identifier>
          <gmi:type>
            <gco:CharacterString>CTD</gco:CharacterString>
          </gmi:type>
          <gmi:description>
            <gco:CharacterString>Conductivity-Temperature-Depth probe</gco:CharacterString>
          </gmi:description>
        </gmi:MI_Instrument>
      </gmi:instrument>
      <gmi:instrument>
        <gmi:MI_Instrument id="inst_be3d">
          <gmi:identifier>
            <gmd:MD_Identifier>
              <gmd:code>
                <gco:CharacterString>Niskin bottle</gco:CharacterString>
              </gmd:code>
            </gmd:MD_Identifier>
          </gmi:identifier>
          <gmi:type>
            <gco:CharacterString>Niskin bottle</gco:CharacterString>
          </gmi:type>
          <gmi:description>
            <gco:CharacterString>Device for obtaining samples of seawater at a specific depth

Why special entry for Niskin bottle but no entry for Nansen bottle?</gco:CharacterString>
          </gmi:description>
        </gmi:MI_Instrument>
      </gmi:instrument>
      <gmi:platform>
        <gmi:MI_Platform id="plat_baae">
          <gmi:identifier>
            <gmd:MD_Identifier>
              <gmd:code>
                <gco:CharacterString>VARIOUS CHARTERED VESSELS</gco:CharacterString>
              </gmd:code>
            </gmd:MD_Identifier>
          </gmi:identifier>
          <gmi:description>
            <gco:CharacterString>VARIOUS CHARTERED VESSELS</gco:CharacterString>
          </gmi:description>
          <gmi:instrument gco:nilReason="missing" />
        </gmi:MI_Platform>
      </gmi:platform>
    </gmi:MI_AcquisitionInformation>
  </gmi:acquisitionInformation>
</gmi:MI_Metadata>