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            <gco:CharacterString>Cite this dataset as: Hardage, K. H., Wang, T. D., Liu, H. A., You, C., Herrera-Silveira, J. A., Street, J. H., Paytan, A. (2024) Measured and calculated geochemistry values and uncertainty for water samples taken from the water column of Celestun Lagoon, Yucatan, Mexico in May of 2015. Biological and Chemical Oceanography Data Management Office (BCO-DMO). (Version 1) Version Date 2024-10-25 [if applicable, indicate subset used]. doi:10.26008/1912/bco-dmo.941377.1 [access date]</gco:CharacterString>
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        <gco:CharacterString>Methods and Sampling: &amp;lt;p&amp;gt;&amp;lt;strong&amp;gt;Location: &amp;lt;/strong&amp;gt;Celestún Biosphere Reserve, Yucatan, Mexico.&amp;amp;nbsp; &amp;amp;nbsp;20.88 N 90.36 E depth 0.5 m.&amp;lt;br /&amp;gt;
&amp;lt;strong&amp;gt;Collection: &amp;lt;/strong&amp;gt;Data collected from dinghy. No vessel name. June 2009 and May 2015.&amp;lt;br /&amp;gt;
&amp;lt;br /&amp;gt;
Water samples from 2015 were filtered (0.45 um) and analyzed for salinity, pH, and elemental concentrations. Analytical methods involved MC-ICPMS for boron and strontium isotopes, with careful sample preparation, including microsublimation for δ11B, Sr-spec resin for 87Sr/86Sr, and isotope ratio mass spectrometry for δ18O and δ13C. Elemental concentrations (B, Mg, Ca) were analyzed using ICPMS. Reproducibility was verified using established standards.&amp;lt;br /&amp;gt;
&amp;lt;br /&amp;gt;
Additional methods citations:&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;Boron isotope method: Wang et al. (2020).&amp;lt;br /&amp;gt;
Strontium isotope method: Liu et al. (2012).&amp;lt;br /&amp;gt;
pH and borate equations: Foster et al. (2016).&amp;lt;br /&amp;gt;
&amp;lt;br /&amp;gt;
&amp;lt;strong&amp;gt;Related dataset descriptions&amp;lt;/strong&amp;gt; (See section &amp;quot;Related Datasets&amp;quot; for data citations)&amp;lt;strong&amp;gt;:&amp;lt;/strong&amp;gt;&amp;lt;br /&amp;gt;
&amp;lt;br /&amp;gt;
The water sample data in this dataset were collected concurrently with the May 2015 sampling event in BCO-DMO dataset https://www.bco-dmo.org/dataset/941327 which&amp;amp;nbsp;contains&amp;amp;nbsp;isotope data, elemental concentrations, and carbon content collected from the foraminifera Ammonia parkinsoniana and sediments in Celestun Lagoon, Yucatan, Mexico in June 2009 and May 2015.&amp;lt;br /&amp;gt;
&amp;lt;br /&amp;gt;
This study and Paytan (2021, BCO-DMO dataset https://www.bco-dmo.org/dataset/564766) both derive groundwater from the same regional aquifer in Yucatan, Mexico, and both studies review the effects of low-pH springs on saturation and calcification of organisms. They are different sample material.&amp;lt;br /&amp;gt;
&amp;lt;br /&amp;gt;
The sediment cores and assemblages in Hardage et al. (2021, doi:10.25921/qkc1-yw35) at NOAA provide the sample material for the geochemistry reported in this study (foraminifera, bulk sediment, physical observations). The Hardage et al. (2021) dataset also contains additional lithology and geochemistry that can be paired with these new data for interested parties.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;&amp;lt;strong&amp;gt;Instrument and equipment list:&amp;lt;/strong&amp;gt;&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;LDPE bottles: water samples were collected in acid-washed LDPE bottles for trace metals.&amp;lt;br /&amp;gt;
rubber septum glass vials: water samples were collected in ashed glass bottles for nutrients.&amp;lt;br /&amp;gt;
0.5 mL micro-centrifuge tubes: used to store crushed foraminifera for cleaning.&amp;lt;br /&amp;gt;
Yellow Springs Instrument Model 63 handheld sonde and pH probe.&amp;lt;br /&amp;gt;
Neptune multi-collector inductively coupled plasma mass spectrometer (MC-ICPMS).&amp;lt;br /&amp;gt;
Lachat QuikChem 8000.&amp;lt;br /&amp;gt;
UIC Carbon Coulometer Analyzer (CM150).&amp;lt;br /&amp;gt;
Orion 950 Titrator.&amp;lt;br /&amp;gt;
Thermo Scientific Element XR ICPMS.&amp;lt;br /&amp;gt;
ThermoFinnigan Delta Plus XP isotope ratio mass spectrometer.&amp;lt;/p&amp;gt;</gco:CharacterString>
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        <gmx:Anchor xlink:href="http://lod.bco-dmo.org/id/award/488851.rdf" xlink:title="OCE-1040952" xlink:actuate="onRequest">Funding provided by NSF Division of Ocean Sciences (NSF OCE) Award Number: OCE-1040952 Award URL: https://www.nsf.gov/awardsearch/show-award?AWD_ID=1040952</gmx:Anchor>
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NSF 12-500, FY 2012
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Press Release 10-186 NSF Awards Grants to Study Effects of Ocean Acidification
Discovery Blue Mussels &quot;Hang On&quot; Along Rocky Shores: For How Long?
Discovery nsf.gov - National Science Foundation (NSF) Discoveries - Trouble in Paradise: Ocean Acidification This Way Comes - US National Science Foundation (NSF)
Press Release 12-179 nsf.gov - National Science Foundation (NSF) News - Ocean Acidification: Finding New Answers Through National Science Foundation Research Grants - US National Science Foundation (NSF)
Press Release 13-102 World Oceans Month Brings Mixed News for Oysters
Press Release 13-108 nsf.gov - National Science Foundation (NSF) News - Natural Underwater Springs Show How Coral Reefs Respond to Ocean Acidification - US National Science Foundation (NSF)
Press Release 13-148 Ocean acidification: Making new discoveries through National Science Foundation research grants
Press Release 13-148 - Video nsf.gov - News - Video - NSF Ocean Sciences Division Director David Conover answers questions about ocean acidification. - US National Science Foundation (NSF)
Press Release 14-010 nsf.gov - National Science Foundation (NSF) News - Palau's coral reefs surprisingly resistant to ocean acidification - US National Science Foundation (NSF)
Press Release 14-116 nsf.gov - National Science Foundation (NSF) News - Ocean Acidification: NSF awards $11.4 million in new grants to study effects on marine ecosystems - US National Science Foundation (NSF)</gco:CharacterString>
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                            <gco:CharacterString>&lt;p&gt;&lt;em&gt;NSF Abstract:&lt;/em&gt;&lt;br /&gt;
To date scientists have primarily used short-term single species experiments to study responses of organisms to increased pCO2. While these experiments are important, they represent an artificial situation, being isolated from many of the biological interactions. Moreover, these experiments do not truly reflect the effects on organisms over longer timescales in actual field situations.&lt;/p&gt;
&lt;p&gt;In this study, researchers at the University of California at Santa Cruz will assess the utility of low pH submarine springs as field study sites for investigating calcification at low aragonite saturation. It has been reported that many reef-building corals cease calcification at saturation as high as 2.0; around these springs calcifying corals inhibit waters well below this value. Work will take place at a series of springs in Mexico where discharging water pH ranges from 8.07 to 7.25 and saturation from less than 0.5 to 5. While these springs are by no means analogs for future ocean calcification they can still provide a natural laboratory to study controls on coral calcification. Field observations are usually confounded by the presence of many potentially important variables in addition to saturation. Moreover, it is not trivial to quantify the natural spatial and temporal variability of the parameters of interest. Thus it is not clear how useful this setting might be for conducting extensive field based calcification research (high risk). Accordingly, the research team will conduct field surveys to map the chemical and physical characteristics of the water around the springs (and corals) and describe population and community patterns along the saturation gradient. They will install probes to capture the temporal and spatial variability. These observations should allow assessment of the site's utility for researching processes that sustain calcification at low saturation and for future manipulative experiments.&lt;/p&gt;
&lt;p&gt;&lt;em&gt;Background publications:&lt;/em&gt;&lt;br /&gt;
Crook ED, Potts D, Rebolledo-Vieyra M, Hernandez L, Paytan A. 2011. Calcifying coral abundance near low pH springs: implications for future ocean acidification. Coral Reefs, 31(1): 239-245.&lt;br /&gt;
Paytan A, Crook ED, Cohen AL, Martz T, Takeshita Y et al. 2014. Reply to Iglesias-Prieto et al.: Combined field and laboratory approaches for the study of coral calcification. Proc Natl Acad Sci USA, 111 (3): E302-E303.&lt;br /&gt;
Crook ED, Cohen AL, Rebolledo-Veiyra M, Hernandez L, Paytan A. 2013. Reduced calcification and lack of acclimatization by coral colonies growing in areas of persistent natural acidification. Proc Natl Acad Sci USA, 110 (27): 1044-1049.&lt;/p&gt;</gco:CharacterString>
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            http://lod.bco-dmo.org/id/dataset-parameter/946152.rdf
	Name: site
	Units: unitless
	Description: &lt;p&gt;Site code for water sample.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946153.rdf
	Name: lat
	Units: decimal degrees
	Description: &lt;p&gt;Site latitude in WGS84; north is positive.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946154.rdf
	Name: long
	Units: decimal degrees
	Description: &lt;p&gt;Site longitude in WGS84; east is negative.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946155.rdf
	Name: distance
	Units: kilometers (km)
	Description: &lt;p&gt;Distance along the central lagoon axis from the northern fringe mangrove to the southern lagoon opening to the ocean.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946156.rdf
	Name: region
	Units: unitless
	Description: &lt;p&gt;Biogeographic region of the lagoon identified by Hardage et al. (2022). J. Paleolim. 10.8 km is the dividing point.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946157.rdf
	Name: date
	Units: unitless
	Description: &lt;p&gt;Date of sample collection in ISO 8601 yyyy-mm-dd format.  Time Zone GMT-6 (Central Standard Time in Yucatan, Mexico)&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946158.rdf
	Name: time
	Units: unitless
	Description: &lt;p&gt;Time of sample collection in ISO 8601 format HH:MM.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946159.rdf
	Name: ISO_DateTime_UTC
	Units: unitless
	Description: &lt;p&gt;DateTime with time zone of sample collection in ISO 8601 format (UTC).&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946160.rdf
	Name: tide
	Units: unitless
	Description: &lt;p&gt;Tide position based on the nearest tide gauge in Progreso, Yucatan, Mexico.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946161.rdf
	Name: sample
	Units: unitless
	Description: &lt;p&gt;Water sample type. Valid values are Lagoon Water, Seawater, Spring Water, Well Water.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946162.rdf
	Name: temperature
	Units: degrees Celsius
	Description: &lt;p&gt;Water column temperature measured in situ.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946163.rdf
	Name: salinity
	Units: practical salinity units (PSU)
	Description: &lt;p&gt;Water column salinity measured with a salinometer against KCl.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946164.rdf
	Name: pH
	Units: total scale
	Description: &lt;p&gt;Water column pH, measured in situ using standards on the National Bureau of Standards scale and converted to total scale using pH = value - 0.14.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946165.rdf
	Name: DIC
	Units: micromoles per kilogram (umol/kg)
	Description: &lt;p&gt;Water column dissolved inorganic carbon.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946166.rdf
	Name: DIC_2sd
	Units: micromoles per kilogram (umol/kg)
	Description: &lt;p&gt;Water column dissolved inorganic carbon 2 standard deviations of replicate measurements.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946167.rdf
	Name: TA
	Units: micromoles per kilogram (umol/kg)
	Description: &lt;p&gt;Water column total alkalinity. Uncertainty determined as 45 based on the Dickson Standard Batch 121.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946168.rdf
	Name: NO3
	Units: micromoles per kilogram (umol/kg)
	Description: &lt;p&gt;Water column dissolved nitrate as N.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946169.rdf
	Name: NO3_2sd
	Units: micromoles per kilogram (umol/kg)
	Description: &lt;p&gt;Water column dissolved nitrate as N 2 standard deviations of replicate measurements.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946170.rdf
	Name: PO4
	Units: micromoles per kilogram (umol/kg)
	Description: &lt;p&gt;Water column dissolved phosphate. Uncertainty determined as +- 0.02 based on lab standards.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946171.rdf
	Name: SiO4
	Units: micromoles per kilogram (umol/kg)
	Description: &lt;p&gt;Water column dissolved silica.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946172.rdf
	Name: SiO4_2sd
	Units: micromoles per kilogram (umol/kg)
	Description: &lt;p&gt;Water column dissolved silica 2 standard deviations of replicate measurements.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946173.rdf
	Name: Ca_conc
	Units: millimolar (mM)
	Description: &lt;p&gt;Water column dissolved calcium concentration. Uncertainty determined as +- 0.2 from 2SD of lab standard gravimetric solutions.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946174.rdf
	Name: Mg_conc
	Units: millimolar (mM)
	Description: &lt;p&gt;Water column dissolved magnesium concentration. Uncertainty determined as +- 0.12 from 2SD of lab standard gravimetric solutions.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946175.rdf
	Name: B_conc
	Units: micromolar (uM)
	Description: &lt;p&gt;Water column dissolved boron concentration. Uncertainty determined as +- 31.6 from 2SD of lab standard gravimetric solutions.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946176.rdf
	Name: Sr8786
	Units: unitless
	Description: &lt;p&gt;Water column radiogenic strontium ratio 87Sr/86Sr.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946177.rdf
	Name: Sr8786_2sd
	Units: unitless
	Description: &lt;p&gt;Water column radiogenic strontium ratio 87Sr/86Sr 2 standard deviations of replicate measurements.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946178.rdf
	Name: d18O
	Units: per mil (0/00)
	Description: &lt;p&gt;Water column oxygen-18.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946179.rdf
	Name: d18O_2sd
	Units: per mil (0/00)
	Description: &lt;p&gt;Water column oxygen-18,  2 standard deviations based on replicate standards.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946180.rdf
	Name: d11B
	Units: per mil (0/00)
	Description: &lt;p&gt;Water column bulk boron-11.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946181.rdf
	Name: d11B_2sd
	Units: per mil (0/00)
	Description: &lt;p&gt;Water column bulk boron-11 2 standard deviations of replicate standards.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946182.rdf
	Name: pCO2_mean
	Units: microatmospheres (uatm)
	Description: &lt;p&gt;Water column partial pressure of carbon dioxide calculated using CBSYST Version 0.4.9 (Branson et al., 2024). Mean of 10,000 Monte Carlo simulations.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946183.rdf
	Name: pCO2_2sd
	Units: microatmospheres (uatm)
	Description: &lt;p&gt;Water column partial pressure of carbon dioxide uncertainty, calculated as 2 * standard deviation of 10,000 Monte Carlo simulations of CBSYST Version 0.4.9 (Branson et al., 2024).&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946184.rdf
	Name: CO2_mean
	Units: micromoles per kilogram (umol/kg)
	Description: &lt;p&gt;Water column dissolved carbon dioxide concentration calculated using  CBSYST Version 0.4.9 (Branson et al., 2024).  Mean of 10,000 Monte Carlo simulations.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946185.rdf
	Name: CO2_sd
	Units: micromoles per kilogram (umol/kg)
	Description: &lt;p&gt;Water column dissolved carbon dioxide concentration uncertainty, calculated as 2 * standard deviation of 10,000 Monte Carlo simulations of CBSYST  Version 0.4.9 (Branson et al., 2024).&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946186.rdf
	Name: CO3_mean
	Units: micromoles per kilogram (umol/kg)
	Description: &lt;p&gt;Water column dissolved carbonate ion concentration calculated using CBSYST Version 0.4.9 (Branson et al., 2024). Mean of 10,000 Monte Carlo simulations.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946187.rdf
	Name: CO3_2sd
	Units: micromoles per kilogram (umol/kg)
	Description: &lt;p&gt;Water column dissolved carbonate ion concentration uncertainty, calculated as 2 * standard deviation of 10,000 Monte Carlo simulations of CBSYST.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946188.rdf
	Name: HCO3_mean
	Units: micromoles per kilogram (umol/kg)
	Description: &lt;p&gt;Water column dissolved bicarbonate ion concentration calculated using  CBSYST Version 0.4.9 (Branson et al., 2024).  Mean of 10,000 Monte Carlo simulations.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946189.rdf
	Name: HCO3_2sd
	Units: micromoles per kilogram (umol/kg)
	Description: &lt;p&gt;Water column dissolved bicarbonate ion concentration uncertainty, calculated as 2 * standard deviation of 10,000 Monte Carlo simulations of CBSYST.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946190.rdf
	Name: omegaC_mean
	Units: unitless
	Description: &lt;p&gt;Water column calcite saturation state, calculated using CBSYST Version 0.4.9 (Branson et al., 2024).  Mean of 10,000 monte carlo simulations.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946191.rdf
	Name: omegaC_2sd
	Units: unitless
	Description: &lt;p&gt;Water column calcite saturation state uncertainty, calculated as 2 * standard deviation of 10,000 Monte Carlo simulations of CBSYST.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946192.rdf
	Name: delta_carb
	Units: micromoles per kilogram (umol/kg)
	Description: &lt;p&gt;Water column degree of calcite saturation, calculated from CO3_mean -  (CO3_mean / omegaC_mean).&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946193.rdf
	Name: delta_carb_err
	Units: micromoles per kilogram (umol/kg)
	Description: &lt;p&gt;Water column delta_carb propagated error calculated as delta_carb_err = sqrt(CO3_sd^2 + (CO3_mean/omegaC_mean*omegaC_sd)^2)&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946194.rdf
	Name: pKB_mean
	Units: unitless
	Description: &lt;p&gt;Stoichiometric dissociation (equilibrium) constant for the borate-boric acid system. Calculated using CBSYST Version 0.4.9 (Branson et al., 2024).  Mean of 10,000 Monte Carlo simulations.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946195.rdf
	Name: pKB_2sd
	Units: unitless
	Description: &lt;p&gt;Stoichiometric dissociation (equilibrium) constant uncertainty for the borate-boric acid system, calculated as 2 * standard deviation of 10,000 Monte Carlo simulations of CBSYST Version 0.4.9 (Branson et al., 2024).&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946196.rdf
	Name: BOH4_mean
	Units: micromoles per kilogram (umol/kg)
	Description: &lt;p&gt;Water column dissolved borate, calculated using CBSYST Version 0.4.9 (Branson et al., 2024). Mean of 10,000 Monte Carlo simulations.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946197.rdf
	Name: BOH4_2sd
	Units: micromoles per kilogram (umol/kg)
	Description: &lt;p&gt;Water column dissolved borate uncertainty, calculated as 2 * standard deviation of 10,000 Monte Carlo simulations of CBSYST Version 0.4.9 (Branson et al., 2024).&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946198.rdf
	Name: d11B_BOH4_mean
	Units: per mil (0/00)
	Description: &lt;p&gt;Water column boron-11 ratio of borate ion,calculated using CBSYST Version 0.4.9 (Branson et al., 2024). Mean of 10,000 Monte Carlo simulations.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946199.rdf
	Name: d11B_BOH4_2sd
	Units: per mil (0/00)
	Description: &lt;p&gt;Water column boron-11 ratio of borate ion uncertainty, calculated as 2 * standard deviation of 10,000 Monte Carlo simulations of CBSYST Version 0.4.9 (Branson et al., 2024).&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946200.rdf
	Name: Cl_est
	Units: millimolar (mM)
	Description: &lt;p&gt;Water column dissolved chloride. Estimated from LOESS smoothing of Cl transect data in Tables 1 and 4 of Young et al. (2008). Marine Chemistry. &lt;a href=&quot;https://doi.org/10.1016/j.marchem.2007.07.010&quot;&gt;https://doi.org/10.1016/j.marchem.2007.07.010&lt;/a&gt;&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946201.rdf
	Name: SO4_est
	Units: millimolar (mM)
	Description: &lt;p&gt;Water column dissolved sulfate. Estimated from LOESS smooethin of SO4 transect data in Tables 1 and 4 of Young et al. (2008).Marine Chemistry. &lt;a href=&quot;https://doi.org/10.1016/j.marchem.2007.07.010&quot;&gt;https://doi.org/10.1016/j.marchem.2007.07.010&lt;/a&gt;&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946202.rdf
	Name: Sr_est
	Units: micromolar (uM)
	Description: &lt;p&gt;Water column dissolved strontium. Estimated from LOESS smoothing of Sr data in Tables 1 and 4 of Young et al. (2008).Marine Chemistry. &lt;a href=&quot;https://doi.org/10.1016/j.marchem.2007.07.010&quot;&gt;https://doi.org/10.1016/j.marchem.2007.07.010&lt;/a&gt;&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946203.rdf
	Name: K_est
	Units: millimolar (mM)
	Description: &lt;p&gt;Water column dissolved potassium. Estimated from Na/Cl ratio of seawater using Cl data herein and seawater [K] from Millero et al. (2008). Deep Sea Research Part 1. &lt;a href=&quot;https://doi.org/10.1016/j.dsr.2007.10.001&quot;&gt;https://doi.org/10.1016/j.dsr.2007.10.001&lt;/a&gt;&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946204.rdf
	Name: Na_est
	Units: millimolar (mM)
	Description: &lt;p&gt;Water column dissolved sodium. Estimated from Na/Cl ratio of seawater using Cl data herein and seawater [Na] from Millero et al. (2008). Deep Sea Research Part 1. &lt;a href=&quot;https://doi.org/10.1016/j.dsr.2007.10.001&quot;&gt;https://doi.org/10.1016/j.dsr.2007.10.001&lt;/a&gt;&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946205.rdf
	Name: adjusted_Na
	Units: millimolar (mM)
	Description: &lt;p&gt;Water column dissolved sodium, determined by adjusting column (Na) to reduce column (charge_imbalance) value within MarChemSpec (Clegg &amp;amp; Turner, 2023).&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946206.rdf
	Name: charge_imbalance
	Units: moles
	Description: &lt;p&gt;Solution charge imbalance resulting from MarChemSpec (Clegg &amp;amp; Turner, 2023) calculation of pH using parameters in this file.&lt;/p&gt; 
http://lod.bco-dmo.org/id/dataset-parameter/946207.rdf
	Name: pH_MarcChemSpec
	Units: total scale
	Description: &lt;p&gt;Water column pH calculated from MarChemSpec (Clegg &amp;amp; Turner, 2023) using Pitzer constants.&lt;/p&gt; 
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&amp;lt;strong&amp;gt;Collection: &amp;lt;/strong&amp;gt;Data collected from dinghy. No vessel name. June 2009 and May 2015.&amp;lt;br /&amp;gt;
&amp;lt;br /&amp;gt;
Water samples from 2015 were filtered (0.45 um) and analyzed for salinity, pH, and elemental concentrations. Analytical methods involved MC-ICPMS for boron and strontium isotopes, with careful sample preparation, including microsublimation for δ11B, Sr-spec resin for 87Sr/86Sr, and isotope ratio mass spectrometry for δ18O and δ13C. Elemental concentrations (B, Mg, Ca) were analyzed using ICPMS. Reproducibility was verified using established standards.&amp;lt;br /&amp;gt;
&amp;lt;br /&amp;gt;
Additional methods citations:&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;Boron isotope method: Wang et al. (2020).&amp;lt;br /&amp;gt;
Strontium isotope method: Liu et al. (2012).&amp;lt;br /&amp;gt;
pH and borate equations: Foster et al. (2016).&amp;lt;br /&amp;gt;
&amp;lt;br /&amp;gt;
&amp;lt;strong&amp;gt;Related dataset descriptions&amp;lt;/strong&amp;gt; (See section &amp;quot;Related Datasets&amp;quot; for data citations)&amp;lt;strong&amp;gt;:&amp;lt;/strong&amp;gt;&amp;lt;br /&amp;gt;
&amp;lt;br /&amp;gt;
The water sample data in this dataset were collected concurrently with the May 2015 sampling event in BCO-DMO dataset https://www.bco-dmo.org/dataset/941327 which&amp;amp;nbsp;contains&amp;amp;nbsp;isotope data, elemental concentrations, and carbon content collected from the foraminifera Ammonia parkinsoniana and sediments in Celestun Lagoon, Yucatan, Mexico in June 2009 and May 2015.&amp;lt;br /&amp;gt;
&amp;lt;br /&amp;gt;
This study and Paytan (2021, BCO-DMO dataset https://www.bco-dmo.org/dataset/564766) both derive groundwater from the same regional aquifer in Yucatan, Mexico, and both studies review the effects of low-pH springs on saturation and calcification of organisms. They are different sample material.&amp;lt;br /&amp;gt;
&amp;lt;br /&amp;gt;
The sediment cores and assemblages in Hardage et al. (2021, doi:10.25921/qkc1-yw35) at NOAA provide the sample material for the geochemistry reported in this study (foraminifera, bulk sediment, physical observations). The Hardage et al. (2021) dataset also contains additional lithology and geochemistry that can be paired with these new data for interested parties.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;&amp;lt;strong&amp;gt;Instrument and equipment list:&amp;lt;/strong&amp;gt;&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;LDPE bottles: water samples were collected in acid-washed LDPE bottles for trace metals.&amp;lt;br /&amp;gt;
rubber septum glass vials: water samples were collected in ashed glass bottles for nutrients.&amp;lt;br /&amp;gt;
0.5 mL micro-centrifuge tubes: used to store crushed foraminifera for cleaning.&amp;lt;br /&amp;gt;
Yellow Springs Instrument Model 63 handheld sonde and pH probe.&amp;lt;br /&amp;gt;
Neptune multi-collector inductively coupled plasma mass spectrometer (MC-ICPMS).&amp;lt;br /&amp;gt;
Lachat QuikChem 8000.&amp;lt;br /&amp;gt;
UIC Carbon Coulometer Analyzer (CM150).&amp;lt;br /&amp;gt;
Orion 950 Titrator.&amp;lt;br /&amp;gt;
Thermo Scientific Element XR ICPMS.&amp;lt;br /&amp;gt;
ThermoFinnigan Delta Plus XP isotope ratio mass spectrometer.&amp;lt;/p&amp;gt;</gco:CharacterString>
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                <gco:CharacterString>&amp;lt;p&amp;gt;Element data were corrected for blank, drift, mass bias, and calcium matrix effects.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;Boron isotopes were corrected using the standard-sample-standard bracket technique to correct drift and bias across each individual sample.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;pKB* and&amp;amp;nbsp; δ11B borate were calculated using Branson (2024) CBSYST with implementation of Hain et al. (2015) speciation of Ca and Mg.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;The MarChemSpec (Clegg &amp;amp;amp; Turner, 2023) model uses measured inputs of salinity, temperature, DIC, TA, [B], [Mg], [Ca], [NO&amp;lt;sub&amp;gt;3&amp;lt;/sub&amp;gt;&amp;lt;sup&amp;gt;-&amp;lt;/sup&amp;gt;], [PO&amp;lt;sub&amp;gt;4&amp;lt;/sub&amp;gt;&amp;lt;sup&amp;gt;-&amp;lt;/sup&amp;gt;], and [SiO&amp;lt;sub&amp;gt;4&amp;lt;/sub&amp;gt;&amp;lt;sup&amp;gt;4-&amp;lt;/sup&amp;gt;]. Other major ion concentrations were estimated by applying LOESS smoothing regression (R Software version 4.3.1) to salinity versus [Cl&amp;lt;sup&amp;gt;-&amp;lt;/sup&amp;gt;], [SO&amp;lt;sub&amp;gt;4&amp;lt;/sub&amp;gt;&amp;lt;sup&amp;gt;2-&amp;lt;/sup&amp;gt;], and [Sr&amp;lt;sup&amp;gt;2+&amp;lt;/sup&amp;gt;] data from a lagoon transect in Young et al., (2008) to account for minor non-linear variations at lower salinity. [Na] and [K] concentrations were estimated from the LOESS-derived [Cl&amp;lt;sup&amp;gt;-&amp;lt;/sup&amp;gt;] using [X] = [Cl]&amp;lt;sub&amp;gt;estimated&amp;lt;/sub&amp;gt;/[Cl]&amp;lt;sub&amp;gt;Millero&amp;lt;/sub&amp;gt; * [X]&amp;lt;sub&amp;gt;Millero&amp;lt;/sub&amp;gt;, where [Cl]&amp;lt;sub&amp;gt;Millero&amp;lt;/sub&amp;gt; = 536 mM and X is typical seawater [Na] = 456 mM or [K] = 10.2 mM (Millero et al., 2008). These estimates apply for mixed lagoon waters only. For endmember waters (well water, seawater, large spring), values from were taken directly from Young et al. (2008) and assumed to reflect expected concentrations in the identical sampling locations in this study. Charge imbalances from MarChemSpec calculations were corrected by adjusting [Na], chosen because it was not measured and because its seawater concentration dominates charge balance adjustments relative to [K]. [Na] absolute adjustment ranged from about -22 to +19 mM (&amp;amp;lt; 10 % of [Na]). MarChemSpec calculated pH on the total scale using Pitzer constants.&amp;lt;br /&amp;gt;
&amp;lt;br /&amp;gt;
Software:&amp;lt;br /&amp;gt;
&amp;lt;br /&amp;gt;
MarChemSpec software (https://marchemspec.org/wp/software/) has been archived at Zenodo&amp;amp;nbsp;&amp;amp;nbsp;(Clegg &amp;amp;amp; Turner, 2023, doi: 10.5281/ZENODO.8373046).&amp;lt;br /&amp;gt;
&amp;lt;br /&amp;gt;
CBSYST software (https://github.com/oscarbranson/cbsyst) Version 0.4.9 has been archived at Zenodo (Branson et al., 2024, doi: 10.5281/ZENODO.14185784).&amp;amp;nbsp;&amp;lt;br /&amp;gt;
&amp;lt;br /&amp;gt;
See the &amp;quot;Parameters&amp;quot; section for more details applicable to each data column in this dataset including how MarChemSpec and CBSYST software was used.&amp;lt;br /&amp;gt;
&amp;lt;br /&amp;gt;
Note about aggregated data (means, standard deviations):&amp;lt;br /&amp;gt;
The averages are from the instruments themselves, not from true replicates. They typically take 4 to 10 readings and average the result, depending on the instrument. Since these are mass spectrometers counting individual ions, this averaging is necessary to reduce noise.&amp;amp;nbsp;&amp;amp;nbsp;For parameters calculated using CBSYST, mean and standard deviation are derived from 10,000 Monte Carlo realizations.&amp;lt;/p&amp;gt;</gco:CharacterString>
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** In the BCO-DMO data system missing data identifiers are displayed according to the format of data you access. For example, in csv files it will be blank (null) values. In Matlab .mat files it will be NaN values. When viewing data online at BCO-DMO, the missing value will be shown as blank (null) values.

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              <gmd:code>
                <gmx:Anchor xlink:href="http://lod.bco-dmo.org/id/instrument/530.rdf" xlink:title="Inductively Coupled Plasma Mass Spectrometer" xlink:actuate="onRequest">Thermo Scientific Element XR ICPMS</gmx:Anchor>
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          <gmi:type>
            <gco:CharacterString>Thermo Scientific Element XR ICPMS</gco:CharacterString>
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          <gmi:description>
            <gco:CharacterString>PI Supplied Instrument Name: Thermo Scientific Element XR ICPMS Instrument Name: Inductively Coupled Plasma Mass Spectrometer Instrument Short Name:ICP Mass Spec   Instrument Description: An ICP Mass Spec is an instrument that passes nebulized samples into an inductively-coupled gas plasma (8-10000 K) where they are atomized and ionized. Ions of specific mass-to-charge ratios are quantified in a quadrupole mass spectrometer. Community Standard Description: http://vocab.nerc.ac.uk/collection/L05/current/LAB15/</gco:CharacterString>
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      <gmi:instrument>
        <gmi:MI_Instrument>
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            <gmd:MD_Identifier>
              <gmd:code>
                <gmx:Anchor xlink:href="http://lod.bco-dmo.org/id/instrument/469.rdf" xlink:title="Isotope-ratio Mass Spectrometer" xlink:actuate="onRequest">ThermoScientific MAT-253 dual-inlet isotope ratio mass spectrometer</gmx:Anchor>
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            </gmd:MD_Identifier>
          </gmi:identifier>
          <gmi:type>
            <gco:CharacterString>ThermoScientific MAT-253 dual-inlet isotope ratio mass spectrometer</gco:CharacterString>
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          <gmi:description>
            <gco:CharacterString>PI Supplied Instrument Name: ThermoScientific MAT-253 dual-inlet isotope ratio mass spectrometer Instrument Name: Isotope-ratio Mass Spectrometer Instrument Short Name:IR Mass Spec; IRMS   Instrument Description: The Isotope-ratio Mass Spectrometer is a particular type of mass spectrometer used to measure the relative abundance of isotopes in a given sample (e.g. VG Prism II Isotope Ratio Mass-Spectrometer). Community Standard Description: http://vocab.nerc.ac.uk/collection/L05/current/LAB16/</gco:CharacterString>
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      </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/469.rdf" xlink:title="Isotope-ratio Mass Spectrometer" xlink:actuate="onRequest">ThermoFinnigan Delta Plus XP isotope ratio mass spectrometer.</gmx:Anchor>
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            </gmd:MD_Identifier>
          </gmi:identifier>
          <gmi:type>
            <gco:CharacterString>ThermoFinnigan Delta Plus XP isotope ratio mass spectrometer.</gco:CharacterString>
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          <gmi:description>
            <gco:CharacterString>PI Supplied Instrument Name: ThermoFinnigan Delta Plus XP isotope ratio mass spectrometer. Instrument Name: Isotope-ratio Mass Spectrometer Instrument Short Name:IR Mass Spec; IRMS   Instrument Description: The Isotope-ratio Mass Spectrometer is a particular type of mass spectrometer used to measure the relative abundance of isotopes in a given sample (e.g. VG Prism II Isotope Ratio Mass-Spectrometer). Community Standard Description: http://vocab.nerc.ac.uk/collection/L05/current/LAB16/</gco:CharacterString>
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      </gmi:instrument>
      <gmi:instrument>
        <gmi:MI_Instrument>
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            <gmd:MD_Identifier>
              <gmd:code>
                <gmx:Anchor xlink:href="http://lod.bco-dmo.org/id/instrument/469.rdf" xlink:title="Isotope-ratio Mass Spectrometer" xlink:actuate="onRequest"></gmx:Anchor>
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          </gmi:identifier>
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            <gco:CharacterString></gco:CharacterString>
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            <gco:CharacterString>PI Supplied Instrument Name:  Instrument Name: Isotope-ratio Mass Spectrometer Instrument Short Name:IR Mass Spec; IRMS   Instrument Description: The Isotope-ratio Mass Spectrometer is a particular type of mass spectrometer used to measure the relative abundance of isotopes in a given sample (e.g. VG Prism II Isotope Ratio Mass-Spectrometer). Community Standard Description: http://vocab.nerc.ac.uk/collection/L05/current/LAB16/</gco:CharacterString>
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      </gmi:instrument>
      <gmi:instrument>
        <gmi:MI_Instrument>
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            <gmd:MD_Identifier>
              <gmd:code>
                <gmx:Anchor xlink:href="http://lod.bco-dmo.org/id/instrument/906408.rdf" xlink:title="Lachat QuikChem 8000 flow injection analyzer and Ion Chromatography (IC) system" xlink:actuate="onRequest">Lachat QuikChem 8000</gmx:Anchor>
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            </gmd:MD_Identifier>
          </gmi:identifier>
          <gmi:type>
            <gco:CharacterString>Lachat QuikChem 8000</gco:CharacterString>
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          <gmi:description>
            <gco:CharacterString>PI Supplied Instrument Name: Lachat QuikChem 8000 Instrument Name: Lachat QuikChem 8000 flow injection analyzer and Ion Chromatography (IC) system Instrument Short Name:   Instrument Description: The Lachat QuikChem 8000 can operate flow injection analysis and ion chromatography simultaneously and independently on the same instrument platform. Instrument includes sampler, dilutor, sampling pump, electronics unit, and data station. Analysis takes 20-60 seconds, with a sample throughput of 60-120 samples per hour. Measurements are in the range of parts per trillion to parts per hundred.</gco:CharacterString>
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      </gmi:instrument>
      <gmi:instrument>
        <gmi:MI_Instrument>
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            <gmd:MD_Identifier>
              <gmd:code>
                <gmx:Anchor xlink:href="http://lod.bco-dmo.org/id/instrument/883901.rdf" xlink:title="Multi Collector Inductively Coupled Plasma Mass Spectrometer" xlink:actuate="onRequest"></gmx:Anchor>
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          </gmi:identifier>
          <gmi:type>
            <gco:CharacterString></gco:CharacterString>
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          <gmi:description>
            <gco:CharacterString>PI Supplied Instrument Name:  PI Supplied Instrument Description:Neptune multi-collector inductively coupled plasma mass spectrometer (MC-ICPMS). Instrument Name: Multi Collector Inductively Coupled Plasma Mass Spectrometer Instrument Short Name:MC-ICPMS   Instrument Description: A Multi Collector Inductively Coupled Plasma Mass Spectrometry (MC-ICPMS) is a type of mass spectrometry where the sample is ionized in a plasma (a partially ionized gas, such as Argon, containing free electrons) that has been generated by electromagnetic induction. A series of collectors is used to detect several ion beams simultaneously.

A MC-ICPMS is a hybrid mass spectrometer that combines the advantages of an inductively coupled plasma source and the precise measurements of a magnetic sector multicollector mass spectrometer. The primary advantage of the MC-ICPMS is its ability to analyze a broader range of elements, including those with high ionization potential that are difficult to analyze by Thermal Ionization Mass Spectrometry (TIMS). The ICP source also allows flexibility in how samples are introduced to the mass spectrometer and allows the analysis of samples introduced either as an aspirated solution or as an aerosol produced by laser ablation.</gco:CharacterString>
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        </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/489457.rdf" xlink:title="Multi Parameter Portable Meter" xlink:actuate="onRequest">Yellow Springs Instrument Model 63 handheld sonde and pH probe</gmx:Anchor>
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            <gco:CharacterString>Yellow Springs Instrument Model 63 handheld sonde and pH probe</gco:CharacterString>
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            <gco:CharacterString>PI Supplied Instrument Name: Yellow Springs Instrument Model 63 handheld sonde and pH probe PI Supplied Instrument Description:YSI Model 63 Handheld pH, Conductivity, Salinity and Temperature System. Instrument Name: Multi Parameter Portable Meter Instrument Short Name:   Instrument Description: An analytical instrument that can measure multiple parameters, such as pH, EC, TDS, DO and temperature with one device and is portable or hand-held.</gco:CharacterString>
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        </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/519.rdf" xlink:title="Piston Corer" xlink:actuate="onRequest"></gmx:Anchor>
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            <gco:CharacterString></gco:CharacterString>
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          <gmi:description>
            <gco:CharacterString>PI Supplied Instrument Name:  PI Supplied Instrument Description:Piston, Bolivia, Livingstone corers: coring devices used to collect sediments. Instrument Name: Piston Corer Instrument Short Name:Piston Corer   Instrument Description: The piston corer is a type of bottom sediment sampling device. A long, heavy tube is plunged into the seafloor to extract samples of mud sediment. A piston corer uses a &quot;free fall&quot; of the coring rig to achieve a greater initial force on impact than gravity coring.  A sliding piston inside the core barrel reduces inside wall friction with the sediment and helps to evacuate displaced water from the top of the corer. A piston corer is capable of extracting core samples up to 90 feet in length. Community Standard Description: http://vocab.nerc.ac.uk/collection/L05/current/51/</gco:CharacterString>
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        </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">Orion 950 Titrator</gmx:Anchor>
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          </gmi:identifier>
          <gmi:type>
            <gco:CharacterString>Orion 950 Titrator</gco:CharacterString>
          </gmi:type>
          <gmi:description>
            <gco:CharacterString>PI Supplied Instrument Name: Orion 950 Titrator 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:MI_AcquisitionInformation>
  </gmi:acquisitionInformation>
</gmi:MI_Metadata>
