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<md:citation id="dataset946418">
<md:author id="dataset.author65866">
<md:lastName>Brünjes</md:lastName>
<md:firstName>Jonas</md:firstName>
<md:eMail>jbruenjes@marum.de</md:eMail>
<md:orcid>0000-0001-7759-2583</md:orcid>
</md:author>
<md:author id="dataset.author32733">
<md:lastName>Schubotz</md:lastName>
<md:firstName>Florence</md:firstName>
<md:eMail>schubotz@uni-bremen.de</md:eMail>
<md:orcid>0000-0002-5680-1734</md:orcid>
</md:author>
<md:year>2022</md:year>
<md:title>Calculated intensity-weighted parameters and relative assignments to compound groups of FT-MS measurements of DOM for each sample from sediment core GeoB 19339-1</md:title>
<md:type id="dataset.reftype10" includeInCitation="true">dataset</md:type>
<md:URI>https://doi.org/10.1594/PANGAEA.946418</md:URI>
<md:dateTime>2022-07-18T12:29:03</md:dateTime>
<md:parentURI>https://doi.org/10.1594/PANGAEA.946420</md:parentURI>
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<md:extent>
<md:geographic>
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</md:extent>
<md:project id="project4011" type="National DFG">
<md:label>MARUM</md:label>
<md:name>Center for Marine Environmental Sciences</md:name>
<md:URI>https://www.marum.de/en/</md:URI>
<md:institution id="project4011.inst277">
<md:name>MARUM - Center for Marine Environmental Sciences, University Bremen</md:name>
<md:optionalName>MARUM</md:optionalName>
<md:URI>http://www.marum.de/</md:URI>
<md:ROR>https://ror.org/04ers2y35</md:ROR>
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</md:project>
<md:award id="award747">
<md:funder id="award747.funder20472" semanticURI="https://doi.org/10.13039/501100001659">
<md:name>German Research Foundation</md:name>
<md:optionalName>DFG</md:optionalName>
<md:URI>http://www.dfg.de/en/</md:URI>
<md:crossrefFunderId>https://doi.org/10.13039/501100001659</md:crossrefFunderId>
</md:funder>
<md:number>390741603</md:number>
<md:title>EXC 2077: The Ocean Floor – Earth's Uncharted Interface</md:title>
<md:URI>https://gepris.dfg.de/project/390741603</md:URI>
</md:award>
<md:event displayTypeName="Event" id="event2766657" typeName="Generic Event">
<md:label>GeoB19339-1</md:label>
<md:optionalLabel>M114/2_96-1</md:optionalLabel>
<md:latitude>21.89918333</md:latitude>
<md:longitude>-93.43683333</md:longitude>
<md:location id="event2766657.loc1.term20620">
<md:name>Gulf of Mexico</md:name>
</md:location>
<md:elevation>-2905.0</md:elevation>
<md:dateTime>2015-03-16T11:23:00</md:dateTime>
<md:campaign displayTypeName="Campaign" id="event2766657.campaign3391658" legacyId="event2766657.campaign40325" typeName="Generic Campaign">
<md:label>M114/2</md:label>
<md:name warning="deprecated">M114/2</md:name>
<md:location id="event2766657.campaign3391658.loc1.term77701">
<md:name>Veracruz, Mexico</md:name>
</md:location>
<md:dateTime>2015-03-01T00:00:00</md:dateTime>
<md:start warning="deprecated">2015-03-01</md:start>
<md:location2 id="event2766657.campaign3391658.loc2.term30884">
<md:name>Kingston, Jamaica</md:name>
<md:URI>http://www.marineregions.org/gazetteer.php?p=details&amp;id=19084</md:URI>
</md:location2>
<md:dateTime2>2015-03-28T00:00:00</md:dateTime2>
<md:end warning="deprecated">2015-03-28</md:end>
<md:basis id="event2766657.campaign3391658.basis2">
<md:name>Meteor (1986)</md:name>
<md:URI>https://en.wikipedia.org/wiki/RV_Meteor_(1986)</md:URI>
<md:callSign>DBBH</md:callSign>
<md:IMOnumber>8411279</md:IMOnumber>
</md:basis>
<md:responsible>Bohrmann, Gerhard</md:responsible>
<md:chiefScientist warning="deprecated">Bohrmann, Gerhard</md:chiefScientist>
<md:attribute attid="76863" name="Report">doi:10.2312/cr_m114</md:attribute>
<md:attribute attid="2055" name="BSH ID">20150004</md:attribute>
<md:attribute attid="51659" name="Expedition Program">hdl:10013/epic.44784.d048</md:attribute>
<md:attribute attid="51658" name="Weekly Reports">hdl:10013/epic.44803.d862</md:attribute>
<md:attribute attid="53418" name="Scientific Report">https://store.pangaea.de/documentation/scientific_reports/M114_Bohrmann_Scientific_Report.pdf</md:attribute>
</md:campaign>
<md:basis id="event2766657.basis2">
<md:name>Meteor (1986)</md:name>
<md:URI>https://en.wikipedia.org/wiki/RV_Meteor_(1986)</md:URI>
<md:callSign>DBBH</md:callSign>
<md:IMOnumber>8411279</md:IMOnumber>
</md:basis>
<md:method id="event2766657.method11107">
<md:name>Gravity corer</md:name>
<md:optionalName>GC</md:optionalName>
</md:method>
<md:comment>Recovery of piece of asphalt and sediment</md:comment>
</md:event>
<md:size unit="data points">156</md:size>
<md:license id="license21">
<md:label>CC-BY-4.0</md:label>
<md:name>Creative Commons Attribution 4.0 International</md:name>
<md:URI>https://creativecommons.org/licenses/by/4.0/</md:URI>
</md:license>
<md:comment>Based on molecular formulae assigned to ESI-FT-ICR-MS peaks (Electrospray ionization Fourier-transform ion cyclotron resonance mass spectrometry).
Compound group assignments after Seidel et al. 2014;  https://doi.org/10.1016/j.gca.2014.05.038</md:comment>
<md:matrixColumn col="0" id="col0.ds14660454" source="data" type="string">
<md:parameter id="col0.ds14660454.param16065">
<md:name>Sample ID</md:name>
<md:shortName>Sample ID</md:shortName>
</md:parameter>
<md:PI id="col0.ds14660454.pi65866">
<md:lastName>Brünjes</md:lastName>
<md:firstName>Jonas</md:firstName>
<md:eMail>jbruenjes@marum.de</md:eMail>
<md:orcid>0000-0001-7759-2583</md:orcid>
</md:PI>
<md:caption>Sample ID</md:caption>
</md:matrixColumn>
<md:matrixColumn col="1" format="###0.0000000" id="col1.ds14660455" source="data" type="numeric">
<md:parameter id="col1.ds14660455.param102237">
<md:name>Unified atomic mass</md:name>
<md:shortName>UAM</md:shortName>
<md:unit>u</md:unit>
<md:URI>http://en.wikipedia.org/wiki/Atomic_mass_unit</md:URI>
<md:term id="col1.ds14660455.param102237.term43892" semanticURI="http://qudt.org/1.1/vocab/quantity#Mass" terminologyId="13" terminologyLabel="PAN-Quantity">
<md:name>Mass</md:name>
<md:optionalName>M</md:optionalName>
<md:URI>http://dbpedia.org/resource/Mass</md:URI>
</md:term>
</md:parameter>
<md:PI id="col1.ds14660455.pi65866">
<md:lastName>Brünjes</md:lastName>
<md:firstName>Jonas</md:firstName>
<md:eMail>jbruenjes@marum.de</md:eMail>
<md:orcid>0000-0001-7759-2583</md:orcid>
</md:PI>
<md:comment>FTMS peak intensity-weighted mean</md:comment>
<md:caption>UAM [u] (FTMS peak intensity-weighted ...)</md:caption>
</md:matrixColumn>
<md:matrixColumn col="2" format="#0.000000000" id="col2.ds14660456" source="data" type="numeric">
<md:parameter id="col2.ds14660456.param513557">
<md:name>Polycondensed aromatics</md:name>
<md:shortName>PCA</md:shortName>
<md:unit>%</md:unit>
<md:term id="col2.ds14660456.param513557.term43794" semanticURI="http://qudt.org/1.1/vocab/quantity#DimensionlessRatio" terminologyId="13" terminologyLabel="PAN-Quantity">
<md:name>Dimensionless Ratio</md:name>
<md:optionalName>ψ</md:optionalName>
</md:term>
</md:parameter>
<md:method id="col2.ds14660456.method9934">
<md:name>Calculated, see Comment</md:name>
</md:method>
<md:PI id="col2.ds14660456.pi65866">
<md:lastName>Brünjes</md:lastName>
<md:firstName>Jonas</md:firstName>
<md:eMail>jbruenjes@marum.de</md:eMail>
<md:orcid>0000-0001-7759-2583</md:orcid>
</md:PI>
<md:comment>% relative to all molecular formulae, polycondensed aromatics, Aimod &gt;0.66)</md:comment>
<md:caption>PCA [%] (% relative to all molecular f...)</md:caption>
</md:matrixColumn>
<md:matrixColumn col="3" format="##0.000000000" id="col3.ds14660457" source="data" type="numeric">
<md:parameter id="col3.ds14660457.param14528">
<md:name>Aromatics</md:name>
<md:shortName>Aromatics</md:shortName>
<md:unit>%</md:unit>
<md:term id="col3.ds14660457.param14528.term43794" semanticURI="http://qudt.org/1.1/vocab/quantity#DimensionlessRatio" terminologyId="13" terminologyLabel="PAN-Quantity">
<md:name>Dimensionless Ratio</md:name>
<md:optionalName>ψ</md:optionalName>
</md:term>
</md:parameter>
<md:method id="col3.ds14660457.method9934">
<md:name>Calculated, see Comment</md:name>
</md:method>
<md:PI id="col3.ds14660457.pi65866">
<md:lastName>Brünjes</md:lastName>
<md:firstName>Jonas</md:firstName>
<md:eMail>jbruenjes@marum.de</md:eMail>
<md:orcid>0000-0001-7759-2583</md:orcid>
</md:PI>
<md:comment>% relative to all molecular formulae, polycondensed aromatics, 0.5 &lt; Aimod &gt;0. 66</md:comment>
<md:caption>Aromatics [%] (% relative to all molecular f...)</md:caption>
</md:matrixColumn>
<md:matrixColumn col="4" format="##0.00000000" id="col4.ds14660458" source="data" type="numeric">
<md:parameter id="col4.ds14660458.param14528">
<md:name>Aromatics</md:name>
<md:shortName>Aromatics</md:shortName>
<md:unit>%</md:unit>
<md:term id="col4.ds14660458.param14528.term43794" semanticURI="http://qudt.org/1.1/vocab/quantity#DimensionlessRatio" terminologyId="13" terminologyLabel="PAN-Quantity">
<md:name>Dimensionless Ratio</md:name>
<md:optionalName>ψ</md:optionalName>
</md:term>
</md:parameter>
<md:method id="col4.ds14660458.method9934">
<md:name>Calculated, see Comment</md:name>
</md:method>
<md:PI id="col4.ds14660458.pi65866">
<md:lastName>Brünjes</md:lastName>
<md:firstName>Jonas</md:firstName>
<md:eMail>jbruenjes@marum.de</md:eMail>
<md:orcid>0000-0001-7759-2583</md:orcid>
</md:PI>
<md:comment>Highly unsaturated  (% relative to all molecular formulae, Aimod &lt; 0.5, H/C &lt; 1.5, O/C &lt; 0.9)</md:comment>
<md:caption>Aromatics [%] (Highly unsaturated (% relativ...)</md:caption>
</md:matrixColumn>
<md:matrixColumn col="5" format="##0.00000000" id="col5.ds14660459" source="data" type="numeric">
<md:parameter id="col5.ds14660459.param94632">
<md:name>Aliphatic hydrocarbons</md:name>
<md:shortName>AHC</md:shortName>
<md:unit>%</md:unit>
<md:term id="col5.ds14660459.param94632.term43794" semanticURI="http://qudt.org/1.1/vocab/quantity#DimensionlessRatio" terminologyId="13" terminologyLabel="PAN-Quantity">
<md:name>Dimensionless Ratio</md:name>
<md:optionalName>ψ</md:optionalName>
</md:term>
</md:parameter>
<md:method id="col5.ds14660459.method9934">
<md:name>Calculated, see Comment</md:name>
</md:method>
<md:PI id="col5.ds14660459.pi65866">
<md:lastName>Brünjes</md:lastName>
<md:firstName>Jonas</md:firstName>
<md:eMail>jbruenjes@marum.de</md:eMail>
<md:orcid>0000-0001-7759-2583</md:orcid>
</md:PI>
<md:comment>Unsaturated aliphatics   (% relative to all molecular formulae, 1.5 &lt; H/C &lt;2, P/C &lt; 0.9, N = 0)</md:comment>
<md:caption>AHC [%] (Unsaturated aliphatics (% rel...)</md:caption>
</md:matrixColumn>
<md:matrixColumn col="6" format="#0.000000000" id="col6.ds14660460" source="data" type="numeric">
<md:parameter id="col6.ds14660460.param14532">
<md:name>Hydrogen/Carbon ratio</md:name>
<md:shortName>H/C</md:shortName>
<md:term endOffset="8" fragment="1" id="col6.ds14660460.param14532.term40811" startOffset="0" terminologyId="18" terminologyLabel="PAN-MicroBio">
<md:name>hydrogen</md:name>
</md:term>
<md:term endOffset="15" fragment="2" id="col6.ds14660460.param14532.term38477" semanticURI="http://purl.obolibrary.org/obo/CHEBI_27594" startOffset="9" terminologyId="18" terminologyLabel="PAN-MicroBio">
<md:name>carbon</md:name>
<md:optionalName>C</md:optionalName>
<md:URI>https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27594</md:URI>
</md:term>
<md:term endOffset="21" fragment="3" id="col6.ds14660460.param14532.term2663825" semanticURI="urn:pangaea:obo:pato:syn:3_0001470" startOffset="16" terminologyId="14" terminologyLabel="PATO">
<md:name>ratio</md:name>
</md:term>
</md:parameter>
<md:method id="col6.ds14660460.method9934">
<md:name>Calculated, see Comment</md:name>
</md:method>
<md:PI id="col6.ds14660460.pi65866">
<md:lastName>Brünjes</md:lastName>
<md:firstName>Jonas</md:firstName>
<md:eMail>jbruenjes@marum.de</md:eMail>
<md:orcid>0000-0001-7759-2583</md:orcid>
</md:PI>
<md:comment>FTMS peak intensity-weighted mean H/C ratio</md:comment>
<md:caption>H/C (FTMS peak intensity-weighted ...)</md:caption>
</md:matrixColumn>
<md:matrixColumn col="7" format="#0.000000000" id="col7.ds14660461" source="data" type="numeric">
<md:parameter id="col7.ds14660461.param14533">
<md:name>Oxygen/Carbon ratio</md:name>
<md:shortName>O/C</md:shortName>
<md:term endOffset="6" fragment="1" id="col7.ds14660461.param14533.term38494" semanticURI="http://purl.obolibrary.org/obo/CHEBI_25805" startOffset="0" terminologyId="18" terminologyLabel="PAN-MicroBio">
<md:name>oxygen</md:name>
<md:optionalName>O</md:optionalName>
<md:URI>https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:25805</md:URI>
</md:term>
<md:term endOffset="13" fragment="2" id="col7.ds14660461.param14533.term38477" semanticURI="http://purl.obolibrary.org/obo/CHEBI_27594" startOffset="7" terminologyId="18" terminologyLabel="PAN-MicroBio">
<md:name>carbon</md:name>
<md:optionalName>C</md:optionalName>
<md:URI>https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27594</md:URI>
</md:term>
<md:term endOffset="19" fragment="3" id="col7.ds14660461.param14533.term2663825" semanticURI="urn:pangaea:obo:pato:syn:3_0001470" startOffset="14" terminologyId="14" terminologyLabel="PATO">
<md:name>ratio</md:name>
</md:term>
</md:parameter>
<md:method id="col7.ds14660461.method9934">
<md:name>Calculated, see Comment</md:name>
</md:method>
<md:PI id="col7.ds14660461.pi65866">
<md:lastName>Brünjes</md:lastName>
<md:firstName>Jonas</md:firstName>
<md:eMail>jbruenjes@marum.de</md:eMail>
<md:orcid>0000-0001-7759-2583</md:orcid>
</md:PI>
<md:comment>FTMS peak intensity-weighted mean O/C ratio</md:comment>
<md:caption>O/C (FTMS peak intensity-weighted ...)</md:caption>
</md:matrixColumn>
<md:matrixColumn col="8" format="##0" id="col8.ds14660462" source="data" type="numeric">
<md:parameter id="col8.ds14660462.param121230">
<md:name>Peak intensity</md:name>
<md:shortName>Peak int</md:shortName>
</md:parameter>
<md:method id="col8.ds14660462.method9934">
<md:name>Calculated, see Comment</md:name>
</md:method>
<md:PI id="col8.ds14660462.pi65866">
<md:lastName>Brünjes</md:lastName>
<md:firstName>Jonas</md:firstName>
<md:eMail>jbruenjes@marum.de</md:eMail>
<md:orcid>0000-0001-7759-2583</md:orcid>
</md:PI>
<md:caption>Peak int</md:caption>
</md:matrixColumn>
<md:matrixColumn col="9" format="##0" id="col9.ds14660463" source="data" type="numeric">
<md:parameter id="col9.ds14660463.param121230">
<md:name>Peak intensity</md:name>
<md:shortName>Peak int</md:shortName>
</md:parameter>
<md:method id="col9.ds14660463.method9934">
<md:name>Calculated, see Comment</md:name>
</md:method>
<md:PI id="col9.ds14660463.pi65866">
<md:lastName>Brünjes</md:lastName>
<md:firstName>Jonas</md:firstName>
<md:eMail>jbruenjes@marum.de</md:eMail>
<md:orcid>0000-0001-7759-2583</md:orcid>
</md:PI>
<md:caption>Peak int</md:caption>
</md:matrixColumn>
<md:matrixColumn col="10" format="##0.00000000" id="col10.ds14660464" source="data" type="numeric">
<md:parameter id="col10.ds14660464.param93615">
<md:name>Carbohydrates</md:name>
<md:shortName>CHO</md:shortName>
<md:unit>%</md:unit>
<md:term id="col10.ds14660464.param93615.term43794" semanticURI="http://qudt.org/1.1/vocab/quantity#DimensionlessRatio" terminologyId="13" terminologyLabel="PAN-Quantity">
<md:name>Dimensionless Ratio</md:name>
<md:optionalName>ψ</md:optionalName>
</md:term>
</md:parameter>
<md:method id="col10.ds14660464.method9934">
<md:name>Calculated, see Comment</md:name>
</md:method>
<md:PI id="col10.ds14660464.pi65866">
<md:lastName>Brünjes</md:lastName>
<md:firstName>Jonas</md:firstName>
<md:eMail>jbruenjes@marum.de</md:eMail>
<md:orcid>0000-0001-7759-2583</md:orcid>
</md:PI>
<md:comment>% relative to all molecular formulae, molecular formulae containing only CHO</md:comment>
<md:caption>CHO [%] (% relative to all molecular f...)</md:caption>
</md:matrixColumn>
<md:matrixColumn col="11" format="##0.000000000" id="col11.ds14660465" source="data" type="numeric">
<md:parameter id="col11.ds14660465.param179057">
<md:name>Nitrogen</md:name>
<md:shortName>N</md:shortName>
<md:unit>%</md:unit>
<md:term endOffset="8" fragment="1" id="col11.ds14660465.param179057.term38548" semanticURI="http://purl.obolibrary.org/obo/CHEBI_25555" startOffset="0" terminologyId="18" terminologyLabel="PAN-MicroBio">
<md:name>nitrogen</md:name>
<md:optionalName>N</md:optionalName>
<md:URI>https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:25555</md:URI>
</md:term>
<md:term id="col11.ds14660465.param179057.term43794" semanticURI="http://qudt.org/1.1/vocab/quantity#DimensionlessRatio" terminologyId="13" terminologyLabel="PAN-Quantity">
<md:name>Dimensionless Ratio</md:name>
<md:optionalName>ψ</md:optionalName>
</md:term>
</md:parameter>
<md:method id="col11.ds14660465.method9934">
<md:name>Calculated, see Comment</md:name>
</md:method>
<md:PI id="col11.ds14660465.pi65866">
<md:lastName>Brünjes</md:lastName>
<md:firstName>Jonas</md:firstName>
<md:eMail>jbruenjes@marum.de</md:eMail>
<md:orcid>0000-0001-7759-2583</md:orcid>
</md:PI>
<md:comment>% relative to all molecular formulae, molecular formulae containing Nitrogen</md:comment>
<md:caption>N [%] (% relative to all molecular f...)</md:caption>
</md:matrixColumn>
<md:matrixColumn col="12" format="##0.00000000" id="col12.ds14660466" source="data" type="numeric">
<md:parameter id="col12.ds14660466.param186962">
<md:name>Sulfur</md:name>
<md:shortName>S</md:shortName>
<md:unit>%</md:unit>
<md:term endOffset="6" fragment="1" id="col12.ds14660466.param186962.term40685" startOffset="0" terminologyId="18" terminologyLabel="PAN-MicroBio">
<md:name>sulfur</md:name>
</md:term>
<md:term id="col12.ds14660466.param186962.term43794" semanticURI="http://qudt.org/1.1/vocab/quantity#DimensionlessRatio" terminologyId="13" terminologyLabel="PAN-Quantity">
<md:name>Dimensionless Ratio</md:name>
<md:optionalName>ψ</md:optionalName>
</md:term>
</md:parameter>
<md:method id="col12.ds14660466.method9934">
<md:name>Calculated, see Comment</md:name>
</md:method>
<md:PI id="col12.ds14660466.pi65866">
<md:lastName>Brünjes</md:lastName>
<md:firstName>Jonas</md:firstName>
<md:eMail>jbruenjes@marum.de</md:eMail>
<md:orcid>0000-0001-7759-2583</md:orcid>
</md:PI>
<md:comment>% relative to all molecular formulae, molecular formulae containing Sulfur</md:comment>
<md:caption>S [%] (% relative to all molecular f...)</md:caption>
</md:matrixColumn>
<md:status>
<md:curationLevel id="curlevel30">
<md:label>CurationLevelC</md:label>
<md:name>Enhanced curation</md:name>
<md:URI>https://wiki.pangaea.de/wiki/Curation_levels</md:URI>
</md:curationLevel>
</md:status>
<md:keywords>
<md:techKeyword type="autoGenerated">citable</md:techKeyword>
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