<?xml version="1.0" encoding="UTF-8"?><!--*** Generated from internal PANGAEA metadata schema by dif.xslt ***--><DIF xsi:schemaLocation="http://gcmd.gsfc.nasa.gov/Aboutus/xml/dif/ http://gcmd.gsfc.nasa.gov/Aboutus/xml/dif/dif_v9.4.xsd" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns="http://gcmd.gsfc.nasa.gov/Aboutus/xml/dif/">
<Entry_ID>PANGAEA_996219</Entry_ID>
<Entry_Title>Carbonate chemistry parameters calculated from measured pH, total alkalinity, salinity and temperature in the alkalization mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment</Entry_Title>
<Data_Set_Citation>
<Dataset_Creator>Rump, Marco; Lannig, Gisela; Bock, Christian; Benthien, Albert; Pogoda, Bernadette; Antoni, Dominik; Gerdts, Gunnar</Dataset_Creator>
<Dataset_Title>Carbonate chemistry parameters calculated from measured pH, total alkalinity, salinity and temperature in the alkalization mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment</Dataset_Title>
<Dataset_Release_Date>2026-07-29</Dataset_Release_Date>
<Dataset_Publisher>PANGAEA</Dataset_Publisher>
<Data_Presentation_Form>Dataset</Data_Presentation_Form>
<Online_Resource>https://doi.pangaea.de/10.1594/PANGAEA.996219</Online_Resource>
</Data_Set_Citation>
<Personnel>
<Role>Investigator</Role>
<First_Name>Marco</First_Name>
<Last_Name>Rump</Last_Name>
<Email>marco.rump@awi.de</Email>
</Personnel>
<Discipline>
<Discipline_Name>Earth Science</Discipline_Name>
</Discipline>
<Parameters>
<Detailed_Variable>Event label</Detailed_Variable>
</Parameters>
<Parameters>
<Detailed_Variable>Type of study</Detailed_Variable>
</Parameters>
<Parameters>
<Detailed_Variable>Incubation type</Detailed_Variable>
</Parameters>
<Parameters>
<Detailed_Variable>Experiment day</Detailed_Variable>
</Parameters>
<Parameters>
<Detailed_Variable>Sampling date/time, experiment</Detailed_Variable>
</Parameters>
<Parameters>
<Detailed_Variable>Treatment</Detailed_Variable>
</Parameters>
<Parameters>
<Detailed_Variable>Salinity</Detailed_Variable>
</Parameters>
<Parameters>
<Detailed_Variable>Temperature, water</Detailed_Variable>
</Parameters>
<Parameters>
<Detailed_Variable>pH, NBS scale</Detailed_Variable>
</Parameters>
<Parameters>
<Detailed_Variable>Hydrogen ion, activity coefficient</Detailed_Variable>
</Parameters>
<Parameters>
<Detailed_Variable>pH, total scale</Detailed_Variable>
</Parameters>
<Parameters>
<Detailed_Variable>Alkalinity, total</Detailed_Variable>
</Parameters>
<Parameters>
<Detailed_Variable>pH</Detailed_Variable>
</Parameters>
<Parameters>
<Detailed_Variable>Carbon dioxide, dissolved</Detailed_Variable>
</Parameters>
<Parameters>
<Detailed_Variable>Fugacity of carbon dioxide in seawater</Detailed_Variable>
</Parameters>
<Parameters>
<Detailed_Variable>Partial pressure of carbon dioxide (water) at sea surface temperature (wet air)</Detailed_Variable>
</Parameters>
<Parameters>
<Detailed_Variable>Bicarbonate ion</Detailed_Variable>
</Parameters>
<Parameters>
<Detailed_Variable>Carbonate ion</Detailed_Variable>
</Parameters>
<Parameters>
<Detailed_Variable>Carbon, inorganic, dissolved</Detailed_Variable>
</Parameters>
<Parameters>
<Detailed_Variable>Aragonite saturation state</Detailed_Variable>
</Parameters>
<Parameters>
<Detailed_Variable>Calcite saturation state</Detailed_Variable>
</Parameters>
<ISO_Topic_Category>geoscientificInformation</ISO_Topic_Category>
<Keyword>ChronicOystersOAE_2024</Keyword>
<Keyword>ecotoxicology</Keyword>
<Keyword>Mesocosm experiment</Keyword>
<Keyword>ocean alkalinity enhancement</Keyword>
<Keyword>Ostrea edulis</Keyword>
<Temporal_Coverage>
<Start_Date>2024-04-17</Start_Date>
<Stop_Date>2025-03-12</Stop_Date>
</Temporal_Coverage>
<Data_Set_Progress>Complete</Data_Set_Progress>
<Spatial_Coverage>
<Southernmost_Latitude>54.180327</Southernmost_Latitude>
<Northernmost_Latitude>54.180327</Northernmost_Latitude>
<Westernmost_Longitude>7.888944</Westernmost_Longitude>
<Easternmost_Longitude>7.888944</Easternmost_Longitude>
</Spatial_Coverage>
<Access_Constraints>access rights needed</Access_Constraints>
<Use_Constraints>CC-BY-4.0: Creative Commons Attribution 4.0 International (License comes into effect after moratorium ends)</Use_Constraints>
<Data_Set_Language>English</Data_Set_Language>
<Data_Center>
<Data_Center_Name>
<Short_Name>PANGAEA</Short_Name>
<Long_Name>Data Publisher for Earth &amp; Environmental Science</Long_Name>
</Data_Center_Name>
<Data_Center_URL>https://www.pangaea.de/</Data_Center_URL>
<Personnel>
<Role>Data Center Contact</Role>
<First_Name>Michael</First_Name>
<Last_Name>Diepenbroek</Last_Name>
<Email>info@pangaea.de</Email>
<Contact_Address>
<Address>Leobener Str.</Address>
<City>Bremen</City>
<Province_or_State>Bremen</Province_or_State>
<Postal_Code>28359</Postal_Code>
<Country>Germany</Country>
</Contact_Address>
</Personnel>
</Data_Center>
<Distribution>
<Distribution_Media>online</Distribution_Media>
<Distribution_Size>1220 data points</Distribution_Size>
<Distribution_Format>text/tab-separated-values</Distribution_Format>
</Distribution>
<Reference>Rump, Marco; et al. (submitted): Ecotoxicological impacts of Ocean Alkalinity Enhancement on the European flat oyster Ostrea edulis: Insights from tissue metabolomics and metal analysis.</Reference>
<Reference>Rump, Marco; Lannig, Gisela; Bock, Christian; Benthien, Albert; Pogoda, Bernadette; Antoni, Dominik; Gerdts, Gunnar (2026): Carbonate chemistry parameters calculated from measured pH, total alkalinity, salinity and temperature in the exposure mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment [dataset]. PANGAEA, https://doi.pangaea.de/10.1594/PANGAEA.996220</Reference>
<Reference>Rump, Marco; Lannig, Gisela; Bock, Christian; Benthien, Albert; Pogoda, Bernadette; Antoni, Dominik; Gerdts, Gunnar (2026): Concentrations of 27 polar metabolites in gill and mantle tissue of Ostrea edulis measured by ¹H-NMR spectroscopy during a chronic alkalinity-enhancement exposure experiment [dataset]. PANGAEA, https://doi.pangaea.de/10.1594/PANGAEA.996222</Reference>
<Reference>Rump, Marco; Lannig, Gisela; Bock, Christian; Benthien, Albert; Pogoda, Bernadette; Antoni, Dominik; Gerdts, Gunnar (2026): Glycogen concentration in the labial palps of Ostrea edulis during a chronic alkalinity-enhancement exposure experiment [dataset]. PANGAEA, https://doi.pangaea.de/10.1594/PANGAEA.996218</Reference>
<Reference>Rump, Marco; Lannig, Gisela; Bock, Christian; Benthien, Albert; Pogoda, Bernadette; Antoni, Dominik; Gerdts, Gunnar (2026): Oyster mortality and physicochemical parameters in the exposure mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment [dataset]. PANGAEA, https://doi.pangaea.de/10.1594/PANGAEA.996216</Reference>
<Reference>Rump, Marco; Lannig, Gisela; Bock, Christian; Benthien, Albert; Pogoda, Bernadette; Antoni, Dominik; Gerdts, Gunnar (2026): Tissue-accumulated nickel, chromium and cobalt concentrations in Ostrea edulis measured by ICP-OES at the end of a chronic alkalinity-enhancement exposure experiment [dataset]. PANGAEA, https://doi.pangaea.de/10.1594/PANGAEA.996221</Reference>
<Reference>Rump, Marco; Lannig, Gisela; Bock, Christian; Benthien, Albert; Pogoda, Bernadette; Antoni, Dominik; Gerdts, Gunnar (2026): Total alkalinity and pH during a short-term feeding experiment testing the contribution of shellfish diet (Reed Mariculture SD1800) to seawater alkalinity [dataset]. PANGAEA, https://doi.pangaea.de/10.1594/PANGAEA.996217</Reference>
<Reference>Rump, Marco; Lannig, Gisela; Bock, Christian; Benthien, Albert; Pogoda, Bernadette; Antoni, Dominik; Gerdts, Gunnar (2026): Total alkalinity and pH in the alkalization mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment [dataset]. PANGAEA, https://doi.pangaea.de/10.1594/PANGAEA.996214</Reference>
<Reference>Rump, Marco; Lannig, Gisela; Bock, Christian; Benthien, Albert; Pogoda, Bernadette; Antoni, Dominik; Gerdts, Gunnar (2026): Total alkalinity and pH in the exposure mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment [dataset]. PANGAEA, https://doi.pangaea.de/10.1594/PANGAEA.996215</Reference>
<Summary>This dataset contains calculated carbonate chemistry parameters, including the concentrations of dissolved CO2, HCO3-, CO32- and dissolved inorganic carbon, the fugacity and partial pressure of CO2 and the saturation states of aragonite (Ωarag) and calcite (Ωcalc), for the alkalization mesocosms. Values were calculated from pH, total alkalinity, salinity and temperature measured between 17 April and 19 June 2024, using the seacarb package (Orr et al., 2018) in R (V. 4.3.2). Measured pH values, which refer to the NBS scale, were first converted to the total scale using the total proton activity coefficient fH of Takahashi et al. (1982), lowering pH by 0.12 to 0.13 units across the measured salinity and temperature range. Calculations used the carbonic acid dissociation constants of Lueker et al. (2000), the bisulfate dissociation constant of Dickson (1990), the hydrogen fluoride constant of Perez &amp; Fraga (1987), total boron after Uppström (1974) and the aragonite and calcite solubility products of Mucci (1983), all evaluated at in situ temperature and salinity. The conversion from the NBS to the total scale carries a residual uncertainty of about 0.01 to 0.02 pH units, because the liquid junction potential between the dilute calibration buffers and seawater is not fully captured by fH. This propagates to an uncertainty of roughly 5 to 15 % in calculated pCO2 and a correspondingly smaller uncertainty in the saturation states. ** For all details see the full metadata description at "https://doi.pangaea.de/10.1594/PANGAEA.996219"!</Summary>
<Related_URL>
<URL>http://invabio.wdc-mare.org/mesocubi.jpg</URL>
<Description>Mesocosm experiment</Description>
</Related_URL>
<Related_URL>
<URL>https://doi.pangaea.de/10.1594/PANGAEA.996214</URL>
<Description>Total alkalinity and pH in the alkalization mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment</Description>
</Related_URL>
<Related_URL>
<URL>https://doi.pangaea.de/10.1594/PANGAEA.996215</URL>
<Description>Total alkalinity and pH in the exposure mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment</Description>
</Related_URL>
<Related_URL>
<URL>https://doi.pangaea.de/10.1594/PANGAEA.996216</URL>
<Description>Oyster mortality and physicochemical parameters in the exposure mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment</Description>
</Related_URL>
<Related_URL>
<URL>https://doi.pangaea.de/10.1594/PANGAEA.996217</URL>
<Description>Total alkalinity and pH during a short-term feeding experiment testing the contribution of shellfish diet (Reed Mariculture SD1800) to seawater alkalinity</Description>
</Related_URL>
<Related_URL>
<URL>https://doi.pangaea.de/10.1594/PANGAEA.996218</URL>
<Description>Glycogen concentration in the labial palps of Ostrea edulis during a chronic alkalinity-enhancement exposure experiment</Description>
</Related_URL>
<Related_URL>
<URL>https://doi.pangaea.de/10.1594/PANGAEA.996220</URL>
<Description>Carbonate chemistry parameters calculated from measured pH, total alkalinity, salinity and temperature in the exposure mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment</Description>
</Related_URL>
<Related_URL>
<URL>https://doi.pangaea.de/10.1594/PANGAEA.996221</URL>
<Description>Tissue-accumulated nickel, chromium and cobalt concentrations in Ostrea edulis measured by ICP-OES at the end of a chronic alkalinity-enhancement exposure experiment</Description>
</Related_URL>
<Related_URL>
<URL>https://doi.pangaea.de/10.1594/PANGAEA.996222</URL>
<Description>Concentrations of 27 polar metabolites in gill and mantle tissue of Ostrea edulis measured by ¹H-NMR spectroscopy during a chronic alkalinity-enhancement exposure experiment</Description>
</Related_URL>
<Parent_DIF>PANGAEA_996264</Parent_DIF>
<Metadata_Name>DIF</Metadata_Name>
<Metadata_Version>9.4</Metadata_Version>
<DIF_Creation_Date>2026-07-29</DIF_Creation_Date>
<Last_DIF_Revision_Date>2026-07-29</Last_DIF_Revision_Date>
</DIF>
