<?xml version="1.0" encoding="UTF-8"?>
<!--
Created 2022-07-04T16:23:06
-->
<CmcaProject>
  <multipletSet class="de.bruker.nmr.an.cmca1d.CmcaMultipletSet1D" serialization="custom">
    <unserializable-parents/>
    <list>
      <default>
        <size>4</size>
      </default>
      <int>4</int>
      <CmcaMultiplet1D serialization="custom">
        <unserializable-parents/>
        <list>
          <default>
            <size>1</size>
          </default>
          <int>1</int>
          <Peak1D>
            <positions>
              <double>2.570439825439152</double>
            </positions>
            <indices>
              <double>41289.0</double>
            </indices>
            <intensity>1.27303392768E11</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>20292</peakID>
          </Peak1D>
        </list>
        <PeakGroup>
          <default>
            <isF1Folded>false</isF1Folded>
            <isImpurity>false</isImpurity>
            <manuallyCreated>false</manuallyCreated>
            <meanF1LineWidth>0.0</meanF1LineWidth>
            <meanF1LineWidthError>0.0</meanF1LineWidthError>
            <volume>NaN</volume>
            <atomIndex>
              <int>-1</int>
            </atomIndex>
            <corType>UNDEFINED</corType>
            <delta>
              <double>5.0E-4</double>
            </delta>
            <multipletArea>
              <PhysicalRange>
                <start>2.578999868283338</start>
                <end>2.560656919331514</end>
                <ref>599.89996423</ref>
                <unit>ppm</unit>
              </PhysicalRange>
            </multipletArea>
            <name>DMSO</name>
            <state>UNDEFINED</state>
          </default>
        </PeakGroup>
        <MultipletPeakGroup1D>
          <default>
            <isUnknownMultipletType>false</isUnknownMultipletType>
            <shift>2.570439825439152</shift>
            <couplingHertzJ>
              <double>0.0</double>
            </couplingHertzJ>
            <couplingJ>
              <double>0.0</double>
            </couplingJ>
            <linkedAtoms/>
            <multiplicities>
              <int>1</int>
            </multiplicities>
          </default>
        </MultipletPeakGroup1D>
        <CmcaMultiplet1D>
          <default>
            <createdByAutomation>true</createdByAutomation>
            <annotation></annotation>
            <visibilityDisplay>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
            </visibilityDisplay>
            <visibilityHint>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
            </visibilityHint>
          </default>
        </CmcaMultiplet1D>
      </CmcaMultiplet1D>
      <CmcaMultiplet1D serialization="custom">
        <unserializable-parents/>
        <list>
          <default>
            <size>4</size>
          </default>
          <int>4</int>
          <Peak1D>
            <positions>
              <double>7.456756853552453</double>
            </positions>
            <indices>
              <double>21310.0</double>
            </indices>
            <intensity>1.5400808704E10</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>1</peakID>
          </Peak1D>
          <Peak1D>
            <positions>
              <double>7.451376255193251</double>
            </positions>
            <indices>
              <double>21332.0</double>
            </indices>
            <intensity>1.4041444608E10</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>2</peakID>
          </Peak1D>
          <Peak1D>
            <positions>
              <double>7.446729374792122</double>
            </positions>
            <indices>
              <double>21351.0</double>
            </indices>
            <intensity>1.5145573376E10</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>3</peakID>
          </Peak1D>
          <Peak1D>
            <positions>
              <double>7.441104203780229</double>
            </positions>
            <indices>
              <double>21374.0</double>
            </indices>
            <intensity>2.0040876032E10</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>4</peakID>
          </Peak1D>
        </list>
        <PeakGroup>
          <default>
            <isF1Folded>false</isF1Folded>
            <isImpurity>false</isImpurity>
            <manuallyCreated>false</manuallyCreated>
            <meanF1LineWidth>0.0</meanF1LineWidth>
            <meanF1LineWidthError>0.0</meanF1LineWidthError>
            <volume>NaN</volume>
            <atomIndex>
              <int>-1</int>
            </atomIndex>
            <corType>UNDEFINED</corType>
            <delta>
              <double>5.0E-4</double>
            </delta>
            <multipletArea>
              <PhysicalRange>
                <start>7.461892879258963</start>
                <end>7.434011596852191</end>
                <ref>599.89996423</ref>
                <unit>ppm</unit>
              </PhysicalRange>
            </multipletArea>
            <name>dd_1H_Q1</name>
            <state>UNDEFINED</state>
          </default>
        </PeakGroup>
        <MultipletPeakGroup1D>
          <default>
            <isUnknownMultipletType>false</isUnknownMultipletType>
            <shift>7.448991671829514</shift>
            <couplingHertzJ>
              <double>3.3011803260216896</double>
              <double>6.0888437124403545</double>
            </couplingHertzJ>
            <couplingJ>
              <double>0.005502884685547382</double>
              <double>0.010149765086676865</double>
            </couplingJ>
            <linkedAtoms/>
            <multiplicities>
              <int>2</int>
              <int>2</int>
            </multiplicities>
          </default>
        </MultipletPeakGroup1D>
        <CmcaMultiplet1D>
          <default>
            <createdByAutomation>true</createdByAutomation>
            <annotation></annotation>
            <visibilityDisplay>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
            </visibilityDisplay>
            <visibilityHint>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
            </visibilityHint>
          </default>
        </CmcaMultiplet1D>
      </CmcaMultiplet1D>
      <CmcaMultiplet1D serialization="custom">
        <unserializable-parents/>
        <list>
          <default>
            <size>1</size>
          </default>
          <int>1</int>
          <Peak1D>
            <positions>
              <double>2.604435424163201</double>
            </positions>
            <indices>
              <double>41150.0</double>
            </indices>
            <intensity>1.2265186176E11</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>5</peakID>
          </Peak1D>
        </list>
        <PeakGroup>
          <default>
            <isF1Folded>false</isF1Folded>
            <isImpurity>false</isImpurity>
            <manuallyCreated>false</manuallyCreated>
            <meanF1LineWidth>0.0</meanF1LineWidth>
            <meanF1LineWidthError>0.0</meanF1LineWidthError>
            <volume>NaN</volume>
            <atomIndex>
              <int>-1</int>
            </atomIndex>
            <corType>UNDEFINED</corType>
            <delta>
              <double>5.0E-4</double>
            </delta>
            <multipletArea>
              <PhysicalRange>
                <start>2.6078594413008744</start>
                <end>2.59929939845669</end>
                <ref>599.89996423</ref>
                <unit>ppm</unit>
              </PhysicalRange>
            </multipletArea>
            <name>s_2H</name>
            <state>UNDEFINED</state>
          </default>
        </PeakGroup>
        <MultipletPeakGroup1D>
          <default>
            <isUnknownMultipletType>false</isUnknownMultipletType>
            <shift>2.604435424163201</shift>
            <couplingHertzJ>
              <double>0.0</double>
            </couplingHertzJ>
            <couplingJ>
              <double>0.0</double>
            </couplingJ>
            <linkedAtoms/>
            <multiplicities>
              <int>1</int>
            </multiplicities>
          </default>
        </MultipletPeakGroup1D>
        <CmcaMultiplet1D>
          <default>
            <createdByAutomation>true</createdByAutomation>
            <annotation></annotation>
            <visibilityDisplay>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
            </visibilityDisplay>
            <visibilityHint>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
            </visibilityHint>
          </default>
        </CmcaMultiplet1D>
      </CmcaMultiplet1D>
      <CmcaMultiplet1D serialization="custom">
        <unserializable-parents/>
        <list>
          <default>
            <size>4</size>
          </default>
          <int>4</int>
          <Peak1D>
            <positions>
              <double>7.186504072328908</double>
            </positions>
            <indices>
              <double>22415.0</double>
            </indices>
            <intensity>2.1365609984E10</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>6</peakID>
          </Peak1D>
          <Peak1D>
            <positions>
              <double>7.1811234739697065</double>
            </positions>
            <indices>
              <double>22437.0</double>
            </indices>
            <intensity>1.6810280192E10</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>7</peakID>
          </Peak1D>
          <Peak1D>
            <positions>
              <double>7.1762320209158865</double>
            </positions>
            <indices>
              <double>22457.0</double>
            </indices>
            <intensity>1.5926635776E10</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>8</peakID>
          </Peak1D>
          <Peak1D>
            <positions>
              <double>7.170851422556685</double>
            </positions>
            <indices>
              <double>22479.0</double>
            </indices>
            <intensity>1.6980875008E10</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>9</peakID>
          </Peak1D>
        </list>
        <PeakGroup>
          <default>
            <isF1Folded>false</isF1Folded>
            <isImpurity>false</isImpurity>
            <manuallyCreated>false</manuallyCreated>
            <meanF1LineWidth>0.0</meanF1LineWidth>
            <meanF1LineWidthError>0.0</meanF1LineWidthError>
            <volume>NaN</volume>
            <atomIndex>
              <int>-1</int>
            </atomIndex>
            <corType>UNDEFINED</corType>
            <delta>
              <double>5.0E-4</double>
            </delta>
            <multipletArea>
              <PhysicalRange>
                <start>7.191395525382728</start>
                <end>7.1613130891017365</end>
                <ref>599.89996423</ref>
                <unit>ppm</unit>
              </PhysicalRange>
            </multipletArea>
            <name>dd_1H</name>
            <state>UNDEFINED</state>
          </default>
        </PeakGroup>
        <MultipletPeakGroup1D>
          <default>
            <isUnknownMultipletType>false</isUnknownMultipletType>
            <shift>7.178677747442796</shift>
            <couplingHertzJ>
              <double>3.2278207632212195</double>
              <double>6.162203275240558</double>
            </couplingHertzJ>
            <couplingJ>
              <double>0.005380598359201905</double>
              <double>0.010272051413021899</double>
            </couplingJ>
            <linkedAtoms/>
            <multiplicities>
              <int>2</int>
              <int>2</int>
            </multiplicities>
          </default>
        </MultipletPeakGroup1D>
        <CmcaMultiplet1D>
          <default>
            <createdByAutomation>true</createdByAutomation>
            <annotation></annotation>
            <visibilityDisplay>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
            </visibilityDisplay>
            <visibilityHint>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
            </visibilityHint>
          </default>
        </CmcaMultiplet1D>
      </CmcaMultiplet1D>
    </list>
    <MultipletSet1D>
      <default>
        <integralNormFactor>1.0</integralNormFactor>
        <c__multiplet>de.bruker.nmr.an.multiplet1d.Multiplet</c__multiplet>
        <c__multipletSet>de.bruker.nmr.an.multiplet1d.MultipletSet</c__multipletSet>
        <delta>
          <double>5.0E-4</double>
        </delta>
        <peakList>
          <properties/>
          <dataType>PEAK_LIST</dataType>
          <dataName>name not defined</dataName>
          <selected>false</selected>
          <dataVisible>true</dataVisible>
          <peakList>
            <Peak1D>
              <positions>
                <double>2.5484282866969643</double>
              </positions>
              <indices>
                <double>41379.0</double>
              </indices>
              <intensity>6.10045952E8</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>0</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>7.456756853552453</double>
              </positions>
              <indices>
                <double>21310.0</double>
              </indices>
              <intensity>1.5400808704E10</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>1</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>7.451376255193251</double>
              </positions>
              <indices>
                <double>21332.0</double>
              </indices>
              <intensity>1.4041444608E10</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>2</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>7.446729374792122</double>
              </positions>
              <indices>
                <double>21351.0</double>
              </indices>
              <intensity>1.5145573376E10</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>3</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>7.441104203780229</double>
              </positions>
              <indices>
                <double>21374.0</double>
              </indices>
              <intensity>2.0040876032E10</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>4</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>2.604435424163201</double>
              </positions>
              <indices>
                <double>41150.0</double>
              </indices>
              <intensity>1.2265186176E11</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>5</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>7.186504072328908</double>
              </positions>
              <indices>
                <double>22415.0</double>
              </indices>
              <intensity>2.1365609984E10</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>6</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>7.1811234739697065</double>
              </positions>
              <indices>
                <double>22437.0</double>
              </indices>
              <intensity>1.6810280192E10</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>7</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>7.1762320209158865</double>
              </positions>
              <indices>
                <double>22457.0</double>
              </indices>
              <intensity>1.5926635776E10</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>8</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>7.170851422556685</double>
              </positions>
              <indices>
                <double>22479.0</double>
              </indices>
              <intensity>1.6980875008E10</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>9</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>2.570439825439152</double>
              </positions>
              <indices>
                <double>41289.0</double>
              </indices>
              <intensity>1.27303392768E11</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>10</peakID>
            </Peak1D>
          </peakList>
          <headerList/>
          <units>
            <string>ppm</string>
          </units>
          <peakListFileIOFactoryType>XML</peakListFileIOFactoryType>
          <multipleAddition>false</multipleAddition>
          <modificationDate>2021-09-23 14:00:36.704 UTC</modificationDate>
          <peakListProperties/>
          <peakOrdinal>11</peakOrdinal>
        </peakList>
      </default>
    </MultipletSet1D>
  </multipletSet>
  <projectVersionNumber>1.2</projectVersionNumber>
  <projectState>AutoInconsistent</projectState>
  <projectStateAutomation>AutoInconsistent</projectStateAutomation>
  <resultSummary>Automatic evaluation was aborted.Automatic evaluation: Spectrum and structure do not match. Only invalid solutions were found.Automatic evaluation: Spectrum and structure do not match. Only invalid solutions were found.Automatic evaluation: Spectrum and structure do not match. Only invalid solutions were found.Automatic evaluation: Spectrum and structure do not match. Only invalid solutions were found.</resultSummary>
  <resultDetails>The automatic evaluation ended due to technical problems. No results are available.No assignment could be found for the combination of the structure and spectrum. Please check manually if the structure is in agreement with the spectrum. Automatically generated inconsistencies might also be caused by unknown impurities in the spectrum.No assignment could be found for the combination of the structure and spectrum. Please check manually if the structure is in agreement with the spectrum. Automatically generated inconsistencies might also be caused by unknown impurities in the spectrum.No assignment could be found for the combination of the structure and spectrum. Please check manually if the structure is in agreement with the spectrum. Automatically generated inconsistencies might also be caused by unknown impurities in the spectrum.No assignment could be found for the combination of the structure and spectrum. Please check manually if the structure is in agreement with the spectrum. Automatically generated inconsistencies might also be caused by unknown impurities in the spectrum.</resultDetails>
  <resultOrigin>Automatic analysis generated by Bruker CMC (b:17).</resultOrigin>
  <resultSummaryCreatedByAutomation>true</resultSummaryCreatedByAutomation>
  <resultDetailsCreatedByAutomation>true</resultDetailsCreatedByAutomation>
  <manuallyEdited>false</manuallyEdited>
  <molViewOffsetX>0.05</molViewOffsetX>
  <molViewOffsetY>0.1</molViewOffsetY>
  <molViewScale>1.5</molViewScale>
  <projectDataSets/>
  <modifiedSinceReport>true</modifiedSinceReport>
  <predictedShifts>
    <PredictedShift>
      <atomId>1</atomId>
      <atomSymbol>C</atomSymbol>
      <shift13C>
        <double>152.10000610351562</double>
      </shift13C>
      <shiftQuality>HIGH</shiftQuality>
    </PredictedShift>
    <PredictedShift>
      <atomId>2</atomId>
      <atomSymbol>C</atomSymbol>
      <shift13C>
        <double>14.699999809265137</double>
      </shift13C>
      <shift1H>
        <double>2.5820999145507812</double>
      </shift1H>
      <shiftQuality>HIGH</shiftQuality>
      <shiftQualityProton>MEDIUM</shiftQualityProton>
    </PredictedShift>
    <PredictedShift>
      <atomId>4</atomId>
      <atomSymbol>N</atomSymbol>
      <shift1H>
        <double>10.663724899291992</double>
      </shift1H>
      <shiftQualityProton>MEDIUM</shiftQualityProton>
    </PredictedShift>
    <PredictedShift>
      <atomId>5</atomId>
      <atomSymbol>C</atomSymbol>
      <shift13C>
        <double>144.60000610351562</double>
      </shift13C>
      <shiftQuality>HIGH</shiftQuality>
    </PredictedShift>
    <PredictedShift>
      <atomId>6</atomId>
      <atomSymbol>C</atomSymbol>
      <shift13C>
        <double>136.39999389648438</double>
      </shift13C>
      <shiftQuality>HIGH</shiftQuality>
    </PredictedShift>
    <PredictedShift>
      <atomId>7</atomId>
      <atomSymbol>C</atomSymbol>
      <shift13C>
        <double>118.0999984741211</double>
      </shift13C>
      <shift1H>
        <double>7.440700054168701</double>
      </shift1H>
      <shiftQuality>HIGH</shiftQuality>
      <shiftQualityProton>HIGH</shiftQualityProton>
    </PredictedShift>
    <PredictedShift>
      <atomId>8</atomId>
      <atomSymbol>C</atomSymbol>
      <shift13C>
        <double>111.0999984741211</double>
      </shift13C>
      <shift1H>
        <double>7.440700054168701</double>
      </shift1H>
      <shiftQuality>HIGH</shiftQuality>
      <shiftQualityProton>HIGH</shiftQualityProton>
    </PredictedShift>
    <PredictedShift>
      <atomId>9</atomId>
      <atomSymbol>C</atomSymbol>
      <shift13C>
        <double>122.26000213623047</double>
      </shift13C>
      <shift1H>
        <double>7.430109024047852</double>
      </shift1H>
      <shiftQuality>HIGH</shiftQuality>
      <shiftQualityProton>HIGH</shiftQualityProton>
    </PredictedShift>
    <PredictedShift>
      <atomId>10</atomId>
      <atomSymbol>C</atomSymbol>
      <shift13C>
        <double>122.19999694824219</double>
      </shift13C>
      <shift1H>
        <double>7.1202569007873535</double>
      </shift1H>
      <shiftQuality>HIGH</shiftQuality>
      <shiftQualityProton>HIGH</shiftQualityProton>
    </PredictedShift>
  </predictedShifts>
  <cmcaDataFrameworkVersion>0.9</cmcaDataFrameworkVersion>
  <integralRange class="PeakClusterRange">
    <properties/>
    <dataType>UNKNOWN</dataType>
    <dataName>name not defined</dataName>
    <selected>false</selected>
    <dataVisible>true</dataVisible>
    <region/>
    <fileType>A</fileType>
    <peakClusters>
      <PeakCluster>
        <properties/>
        <dataType>INTEGRAL</dataType>
        <dataName>name not defined</dataName>
        <selected>false</selected>
        <dataVisible>true</dataVisible>
        <dimension>1</dimension>
        <data>
          <double>1.00676096E9</double>
          <double>2.046416384E9</double>
          <double>3.092853248E9</double>
          <double>4.145266688E9</double>
          <double>5.23105024E9</double>
          <double>6.363611392E9</double>
          <double>7.539672832E9</double>
          <double>8.77637632E9</double>
          <double>1.010826752E10</double>
          <double>1.1538277376E10</double>
          <double>1.3023980032E10</double>
          <double>1.452161664E10</double>
          <double>1.6017420288E10</double>
          <double>1.750993536E10</double>
          <double>1.8991265792E10</double>
          <double>2.0460525312E10</double>
          <double>2.1936742144E10</double>
          <double>2.344545024E10</double>
          <double>2.500232192E10</double>
          <double>2.6612699904E10</double>
          <double>2.8274543872E10</double>
          <double>2.9981408256E10</double>
          <double>3.17352704E10</double>
          <double>3.3552269056E10</double>
          <double>3.5438041856E10</double>
          <double>3.7360803328E10</double>
          <double>3.9269850368E10</double>
          <double>4.11412416E10</double>
          <double>4.2987392512E10</double>
          <double>4.482624768E10</double>
          <double>4.6667712256E10</double>
          <double>4.853373568E10</double>
          <double>5.04647168E10</double>
          <double>5.2493628672E10</double>
          <double>5.4629756672E10</double>
          <double>5.6872981504E10</double>
          <double>5.9223384576E10</double>
          <double>6.1668019456E10</double>
          <double>6.4179640576E10</double>
          <double>6.6745506048E10</double>
          <double>6.938753536E10</double>
          <double>7.2144276224E10</double>
          <double>7.5044975872E10</double>
          <double>7.8113685248E10</double>
          <double>8.1392173312E10</double>
          <double>8.4950408704E10</double>
          <double>8.888080128E10</double>
          <double>9.3289509888E10</double>
          <double>9.8290065152E10</double>
          <double>1.040035584E11</double>
          <double>1.10571997184E11</double>
          <double>1.1817634688E11</double>
          <double>1.27042386944E11</double>
          <double>1.37436946176E11</double>
          <double>1.49667341568E11</double>
          <double>1.64076860928E11</double>
          <double>1.81027343616E11</double>
          <double>2.00891491072E11</double>
          <double>2.24068356864E11</double>
          <double>2.50966786304E11</double>
          <double>2.8189144448E11</double>
          <double>3.16879767552E11</double>
          <double>3.55636122624E11</double>
          <double>3.97641070592E11</double>
          <double>4.42358709504E11</double>
          <double>4.89412150016E11</double>
          <double>5.38667821824E11</double>
          <double>5.90240490752E11</double>
          <double>6.44453665536E11</double>
          <double>7.01801010176E11</double>
          <double>7.62935524352E11</double>
          <double>8.28635287296E11</double>
          <double>8.99649819392E11</double>
          <double>9.76426033664E11</double>
          <double>1.058861182208E12</double>
          <double>1.146246602496E12</double>
          <double>1.237438563072E12</double>
          <double>1.331175022592E12</double>
          <double>1.42642010624E12</double>
          <double>1.522609947136E12</double>
          <double>1.619702638592E12</double>
          <double>1.718058744576E12</double>
          <double>1.818306100224E12</double>
          <double>1.921292477952E12</double>
          <double>2.028035187456E12</double>
          <double>2.139500419328E12</double>
          <double>2.256209458688E12</double>
          <double>2.377876529664E12</double>
          <double>2.50330354048E12</double>
          <double>2.630606933248E12</double>
          <double>2.757685022464E12</double>
          <double>2.8827290176E12</double>
          <double>3.004560638976E12</double>
          <double>3.122684260096E12</double>
          <double>3.237131736064E12</double>
          <double>3.34828309888E12</double>
          <double>3.456760636416E12</double>
          <double>3.56333860992E12</double>
          <double>3.66877498752E12</double>
          <double>3.773568262656E12</double>
          <double>3.877738912512E12</double>
          <double>3.980749766656E12</double>
          <double>4.081627586048E12</double>
          <double>4.179254524672E12</double>
          <double>4.272694993152E12</double>
          <double>4.36139393152E12</double>
          <double>4.445181691136E12</double>
          <double>4.524165368832E12</double>
          <double>4.598630388992E12</double>
          <double>4.668994284032E12</double>
          <double>4.73576468864E12</double>
          <double>4.799452394752E12</double>
          <double>4.860450433024E12</double>
          <double>4.918931932672E12</double>
          <double>4.974814358784E12</double>
          <double>5.027808346112E12</double>
          <double>5.077536142848E12</double>
          <double>5.123672819456E12</double>
          <double>5.166046530304E12</double>
          <double>5.204654852096E12</double>
          <double>5.239610074624E12</double>
          <double>5.27107200128E12</double>
          <double>5.299217031424E12</double>
          <double>5.324242002176E12</double>
          <double>5.346372005376E12</double>
          <double>5.365857883904E12</double>
          <double>5.3829701632E12</double>
          <double>5.397989459456E12</double>
          <double>5.411186283776E12</double>
          <double>5.422800500736E12</double>
          <double>5.433039886848E12</double>
          <double>5.442091940352E12</double>
          <double>5.45012475904E12</double>
          <double>5.457277659136E12</double>
          <double>5.463665047552E12</double>
          <double>5.469391301632E12</double>
          <double>5.474548243456E12</double>
          <double>5.479197843968E12</double>
          <double>5.483378244352E12</double>
          <double>5.48713619712E12</double>
          <double>5.49053761408E12</double>
          <double>5.493638715136E12</double>
          <double>5.496468016896E12</double>
          <double>5.499051389184E12</double>
          <double>5.501434392064E12</double>
          <double>5.50365872256E12</double>
          <double>5.505733257984E12</double>
          <double>5.507654249216E12</double>
          <double>5.509443582976E12</double>
          <double>5.51114070016E12</double>
          <double>5.51276400384E12</double>
          <double>5.514308346112E12</double>
          <double>5.515777502464E12</double>
          <double>5.517189735168E12</double>
          <double>5.518549101824E12</double>
          <double>5.519840602368E12</double>
          <double>5.521062525184E12</double>
          <double>5.522238790144E12</double>
          <double>5.523388218624E12</double>
          <double>5.524503898368E12</double>
          <double>5.5255768896E12</double>
          <double>5.526621103616E12</double>
          <double>5.527656900096E12</double>
          <double>5.528681730816E12</double>
          <double>5.529672831488E12</double>
          <double>5.530612713728E12</double>
          <double>5.53150166784E12</double>
          <double>5.532351429888E12</double>
          <double>5.533174544128E12</double>
          <double>5.533974387456E12</double>
          <double>5.53474137856E12</double>
          <double>5.535466226688E12</double>
          <double>5.536157668352E12</double>
          <double>5.536834617856E12</double>
          <double>5.537499136E12</double>
          <double>5.53813434112E12</double>
          <double>5.538735296E12</double>
          <double>5.539323997952E12</double>
          <double>5.539923508224E12</double>
          <double>5.540533554176E12</double>
          <double>5.54114306432E12</double>
          <double>5.541749400064E12</double>
          <double>5.542349617408E12</double>
          <double>5.542928235264E12</double>
          <double>5.543472519168E12</double>
          <double>5.5439887488E12</double>
          <double>5.54448655232E12</double>
          <double>5.544960648192E12</double>
          <double>5.545408944128E12</double>
          <double>5.545855109888E12</double>
          <double>5.546324344064E12</double>
          <double>5.546802273792E12</double>
          <double>5.5472485056E12</double>
          <double>5.547653430528E12</double>
          <double>5.548052985344E12</double>
          <double>5.54847896576E12</double>
          <double>5.548920764672E12</double>
          <double>5.549349216512E12</double>
          <double>5.549754699776E12</double>
          <double>5.550142651648E12</double>
          <double>5.550509672704E12</double>
          <double>5.550848510208E12</double>
          <double>5.551168550144E12</double>
          <double>5.55148905216E12</double>
          <double>5.551814629632E12</double>
          <double>5.55213673856E12</double>
          <double>5.55245821568E12</double>
          <double>5.55279452544E12</double>
          <double>5.55314480768E12</double>
          <double>5.553481794816E12</double>
          <double>5.553783579392E12</double>
          <double>5.55406118656E12</double>
          <double>5.554338655488E12</double>
          <double>5.554616214272E12</double>
          <double>5.554873814272E12</double>
          <double>5.555107758592E12</double>
          <double>5.555340999168E12</double>
          <double>5.555591566336E12</double>
          <double>5.555850821888E12</double>
          <double>5.55610423936E12</double>
          <double>5.556356357376E12</double>
          <double>5.556617804032E12</double>
          <double>5.556879418112E12</double>
          <double>5.557120440064E12</double>
          <double>5.557338489088E12</double>
          <double>5.557552229376E12</double>
          <double>5.55777455744E12</double>
          <double>5.558000335104E12</double>
          <double>5.558221362432E12</double>
          <double>5.5584354688E12</double>
          <double>5.558637038592E12</double>
          <double>5.55881631872E12</double>
          <double>5.558975932928E12</double>
          <double>5.559134265088E12</double>
          <double>5.5593050048E12</double>
          <double>5.559484926208E12</double>
          <double>5.559666225408E12</double>
          <double>5.559845823744E12</double>
          <double>5.560016711936E12</double>
          <double>5.560168831232E12</double>
          <double>5.560310266624E12</double>
          <double>5.560470124288E12</double>
          <double>5.5606636736E12</double>
          <double>5.560867525376E12</double>
          <double>5.56104719616E12</double>
          <double>5.561199396096E12</double>
          <double>5.56134838656E12</double>
          <double>5.561507879424E12</double>
          <double>5.561667119616E12</double>
          <double>5.561812820992E12</double>
          <double>5.56194600448E12</double>
          <double>5.562074099456E12</double>
          <double>5.562200494592E12</double>
          <double>5.562327051776E12</double>
          <double>5.562458888448E12</double>
          <double>5.56260252032E12</double>
          <double>5.562760481792E12</double>
          <double>5.56292470784E12</double>
          <double>5.563074740736E12</double>
          <double>5.563192745984E12</double>
          <double>5.563285615872E12</double>
          <double>5.563380446464E12</double>
          <double>5.563490765056E12</double>
          <double>5.563601886464E12</double>
          <double>5.56370069888E12</double>
          <double>5.563802097664E12</double>
          <double>5.563927004416E12</double>
          <double>5.564069066496E12</double>
          <double>5.564206511104E12</double>
          <double>5.564335422208E12</double>
          <double>5.564464670976E12</double>
          <double>5.564586471424E12</double>
          <double>5.564683431168E12</double>
          <double>5.564764215808E12</double>
          <double>5.564861993728E12</double>
          <double>5.56499246848E12</double>
          <double>5.565139384064E12</double>
          <double>5.565286368E12</double>
          <double>5.56543576192E12</double>
          <double>5.565587145728E12</double>
          <double>5.565723732224E12</double>
          <double>5.565833791232E12</double>
          <double>5.565924545536E12</double>
          <double>5.566002585088E12</double>
          <double>5.566061554688E12</double>
          <double>5.566103367936E12</double>
          <double>5.566151611136E12</double>
          <double>5.566226412032E12</double>
          <double>5.566320308224E12</double>
          <double>5.56641324032E12</double>
          <double>5.566497374464E12</double>
          <double>5.566574701568E12</double>
          <double>5.566646643712E12</double>
          <double>5.566720492544E12</double>
          <double>5.566808915968E12</double>
          <double>5.566905611776E12</double>
          <double>5.566977783552E12</double>
          <double>5.567003744512E12</double>
          <double>5.567005337856E12</double>
          <double>5.567021757952E12</double>
          <double>5.56706231936E12</double>
          <double>5.567108119808E12</double>
          <double>5.567151166976E12</double>
          <double>5.567204519424E12</double>
          <double>5.567274629888E12</double>
          <double>5.56734838016E12</double>
          <double>5.567413270784E12</double>
          <double>5.567473803008E12</double>
          <double>5.567542998528E12</double>
          <double>5.567629435648E12</double>
          <double>5.567733982464E12</double>
          <double>5.567848096E12</double>
          <double>5.56795532672E12</double>
          <double>5.568045087744E12</double>
          <double>5.5681235968E12</double>
          <double>5.56820146688E12</double>
          <double>5.568275263744E12</double>
          <double>5.568334068992E12</double>
          <double>5.568378457088E12</double>
          <double>5.568415855872E12</double>
          <double>5.568440718592E12</double>
          <double>5.56844026496E12</double>
          <double>5.568422524672E12</double>
          <double>5.568419101696E12</double>
          <double>5.568452623616E12</double>
          <double>5.568515692544E12</double>
          <double>5.56858752512E12</double>
          <double>5.568655722752E12</double>
          <double>5.56871314432E12</double>
          <double>5.56874881536E12</double>
          <double>5.56875726464E12</double>
          <double>5.568750748928E12</double>
          <double>5.568750229504E12</double>
          <double>5.568765833216E12</double>
          <double>5.568792423936E12</double>
          <double>5.568821006336E12</double>
          <double>5.568848906496E12</double>
          <double>5.568882209536E12</double>
          <double>5.568933299968E12</double>
          <double>5.56901238912E12</double>
          <double>5.569115913984E12</double>
          <double>5.569226187264E12</double>
          <double>5.569328742912E12</double>
          <double>5.569428922112E12</double>
          <double>5.569544720384E12</double>
          <double>5.56968130688E12</double>
          <double>5.569818204416E12</double>
          <double>5.56992731136E12</double>
          <double>5.570001486592E12</double>
          <double>5.570057642752E12</double>
          <double>5.570110497536E12</double>
          <double>5.570154614016E12</double>
          <double>5.570181372416E12</double>
          <double>5.57020253056E12</double>
          <double>5.570237551616E12</double>
          <double>5.570280414208E12</double>
          <double>5.570302456064E12</double>
          <double>5.570294122752E12</double>
          <double>5.570280612096E12</double>
          <double>5.570283820288E12</double>
          <double>5.570292524544E12</double>
          <double>5.570291140864E12</double>
          <double>5.570296815872E12</double>
          <double>5.570337266432E12</double>
          <double>5.570403838208E12</double>
          <double>5.57046118016E12</double>
          <double>5.570500648704E12</double>
          <double>5.570548598272E12</double>
          <double>5.570615672576E12</double>
          <double>5.570672452864E12</double>
          <double>5.570692321024E12</double>
          <double>5.570692191232E12</double>
          <double>5.57070923264E12</double>
          <double>5.570754548736E12</double>
          <double>5.570810407936E12</double>
          <double>5.570860435456E12</double>
          <double>5.57090139776E12</double>
          <double>5.57093216128E12</double>
          <double>5.570950972928E12</double>
          <double>5.570963554816E12</double>
          <double>5.570980496384E12</double>
          <double>5.571005413632E12</double>
          <double>5.571033205504E12</double>
          <double>5.571058697216E12</double>
          <double>5.571081610496E12</double>
          <double>5.57110597632E12</double>
          <double>5.57113802112E12</double>
          <double>5.57117867392E12</double>
          <double>5.571215078656E12</double>
          <double>5.571229270784E12</double>
          <double>5.571221737472E12</double>
          <double>5.571216578816E12</double>
          <double>5.57123462016E12</double>
          <double>5.57127025152E12</double>
          <double>5.571304484352E12</double>
          <double>5.571331822592E12</double>
          <double>5.571361639168E12</double>
          <double>5.571399465728E12</double>
          <double>5.57144083072E12</double>
          <double>5.571480947456E12</double>
          <double>5.571518265088E12</double>
          <double>5.571549206528E12</double>
          <double>5.571569604864E12</double>
          <double>5.571581430272E12</double>
          <double>5.571590414848E12</double>
          <double>5.571598105856E12</double>
          <double>5.571603036416E12</double>
          <double>5.571607218176E12</double>
          <double>5.571614117376E12</double>
          <double>5.571623008E12</double>
          <double>5.571633126144E12</double>
          <double>5.571650614784E12</double>
          <double>5.571682918656E12</double>
          <double>5.571727964672E12</double>
          <double>5.5717759232E12</double>
          <double>5.571818620672E12</double>
          <double>5.571849793024E12</double>
          <double>5.571861032704E12</double>
          <double>5.571848800768E12</double>
          <double>5.57182350464E12</double>
          <double>5.57182350464E12</double>
        </data>
        <size>
          <int>421</int>
        </size>
        <fullSize>
          <int>421</int>
        </fullSize>
        <fullRange>
          <PhysicalRange>
            <start>2.5923290778549966</start>
            <end>2.489608563724781</end>
            <ref>599.89996423</ref>
            <unit>ppm</unit>
          </PhysicalRange>
        </fullRange>
        <intensityRange class="PhysicalRange">
          <start>1.00676096E9</start>
          <end>5.571861032704E12</end>
          <ref>1.0</ref>
          <unit></unit>
        </intensityRange>
        <integratedIndexRange class="de.bruker.nmr.jview.data.IndexRange">
          <start>41200</start>
          <num>421</num>
        </integratedIndexRange>
        <normalizingFactor>1.0</normalizingFactor>
        <iBias>0.0</iBias>
        <iSlope>0.0</iSlope>
        <baselineCorr>false</baselineCorr>
        <baselinePoints>4</baselinePoints>
        <thisCluster>6928</thisCluster>
        <label></label>
        <comment></comment>
        <isModified>false</isModified>
        <createdByAutomation>true</createdByAutomation>
        <type>Impurity</type>
        <visibilityDisplay>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
        </visibilityDisplay>
        <visibilityHint>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
        </visibilityHint>
        <protonContent>0.0</protonContent>
        <isConsistent>true</isConsistent>
        <usedForEretic>false</usedForEretic>
        <concentration>0.0</concentration>
      </PeakCluster>
      <PeakCluster>
        <properties/>
        <dataType>INTEGRAL</dataType>
        <dataName>name not defined</dataName>
        <selected>false</selected>
        <dataVisible>true</dataVisible>
        <dimension>1</dimension>
        <data>
          <double>1.80956672E8</double>
          <double>3.91522816E8</double>
          <double>6.07589888E8</double>
          <double>8.21159936E8</double>
          <double>1.043121664E9</double>
          <double>1.271357696E9</double>
          <double>1.489630976E9</double>
          <double>1.700923136E9</double>
          <double>1.929833472E9</double>
          <double>2.182492672E9</double>
          <double>2.431615232E9</double>
          <double>2.654747136E9</double>
          <double>2.865267456E9</double>
          <double>3.090962688E9</double>
          <double>3.340168704E9</double>
          <double>3.604816384E9</double>
          <double>3.882808576E9</double>
          <double>4.180771328E9</double>
          <double>4.502692096E9</double>
          <double>4.849295104E9</double>
          <double>5.224920576E9</double>
          <double>5.637753088E9</double>
          <double>6.09729408E9</double>
          <double>6.612972032E9</double>
          <double>7.185665792E9</double>
          <double>7.799631872E9</double>
          <double>8.43739264E9</double>
          <double>9.107161088E9</double>
          <double>9.840062208E9</double>
          <double>1.0654050048E10</double>
          <double>1.1538481664E10</double>
          <double>1.2484640512E10</double>
          <double>1.3512305408E10</double>
          <double>1.4648747008E10</double>
          <double>1.5896200704E10</double>
          <double>1.7240726272E10</double>
          <double>1.8682432768E10</double>
          <double>2.02322688E10</double>
          <double>2.1881548544E10</double>
          <double>2.3598762752E10</double>
          <double>2.5363174144E10</double>
          <double>2.7185898752E10</double>
          <double>2.909101312E10</double>
          <double>3.1087695872E10</double>
          <double>3.3167203328E10</double>
          <double>3.5314818048E10</double>
          <double>3.7511190784E10</double>
          <double>3.9724408832E10</double>
          <double>4.1914020864E10</double>
          <double>4.405341056E10</double>
          <double>4.6150591488E10</double>
          <double>4.8243654912E10</double>
          <double>5.0373385728E10</double>
          <double>5.2564269824E10</double>
          <double>5.4837075968E10</double>
          <double>5.723444096E10</double>
          <double>5.982228352E10</double>
          <double>6.2666452224E10</double>
          <double>6.5823237888E10</double>
          <double>6.9361970432E10</double>
          <double>7.3387911936E10</double>
          <double>7.803146112E10</double>
          <double>8.3417832448E10</double>
          <double>8.965967872E10</double>
          <double>9.688864256E10</double>
          <double>1.05294394112E11</double>
          <double>1.15114993664E11</double>
          <double>1.26543856896E11</double>
          <double>1.39587609088E11</double>
          <double>1.53973674496E11</double>
          <double>1.6918352E11</double>
          <double>1.84584328704E11</double>
          <double>1.99571419136E11</double>
          <double>2.13677374208E11</double>
          <double>2.26649400064E11</double>
          <double>2.38463065856E11</double>
          <double>2.49228526336E11</double>
          <double>2.5904686976E11</double>
          <double>2.67955851264E11</double>
          <double>2.76003816704E11</double>
          <double>2.83328369408E11</double>
          <double>2.90135564032E11</double>
          <double>2.9663616896E11</double>
          <double>3.0303585664E11</double>
          <double>3.095572352E11</double>
          <double>3.16424958208E11</double>
          <double>3.23843281664E11</double>
          <double>3.32029584384E11</double>
          <double>3.41250798592E11</double>
          <double>3.5175430912E11</double>
          <double>3.63616634368E11</double>
          <double>3.76652429824E11</double>
          <double>3.90452923136E11</double>
          <double>4.04494367744E11</double>
          <double>4.18257111552E11</double>
          <double>4.31345916928E11</double>
          <double>4.43569869568E11</double>
          <double>4.54915731968E11</double>
          <double>4.65444571648E11</double>
          <double>4.75228177408E11</double>
          <double>4.84365443584E11</double>
          <double>4.93001375488E11</double>
          <double>5.01303038464E11</double>
          <double>5.09446271232E11</double>
          <double>5.17645252608E11</double>
          <double>5.2616915456E11</double>
          <double>5.3531067392E11</double>
          <double>5.45350994688E11</double>
          <double>5.56539236608E11</double>
          <double>5.69029661184E11</double>
          <double>5.82771359488E11</double>
          <double>5.97457108992E11</double>
          <double>6.12602682368E11</double>
          <double>6.27684996608E11</double>
          <double>6.42242510592E11</double>
          <double>6.55938504448E11</double>
          <double>6.686079488E11</double>
          <double>6.80243083008E11</double>
          <double>6.90903593728E11</double>
          <double>7.00647251712E11</double>
          <double>7.0955341952E11</double>
          <double>7.17766820096E11</double>
          <double>7.25472609024E11</double>
          <double>7.328524992E11</double>
          <double>7.4010519936E11</double>
          <double>7.47483721216E11</double>
          <double>7.55268397568E11</double>
          <double>7.63736172288E11</double>
          <double>7.7322293376E11</double>
          <double>7.84192104704E11</double>
          <double>7.97131996672E11</double>
          <double>8.12307890176E11</double>
          <double>8.29596024064E11</double>
          <double>8.48519733504E11</double>
          <double>8.68387303936E11</double>
          <double>8.88428179968E11</double>
          <double>9.07947618048E11</double>
          <double>9.2648880512E11</double>
          <double>9.43877821184E11</double>
          <double>9.60099265024E11</double>
          <double>9.75143357952E11</double>
          <double>9.88973445376E11</double>
          <double>1.001579387904E12</double>
          <double>1.01299988224E12</double>
          <double>1.023300174848E12</double>
          <double>1.032563906816E12</double>
          <double>1.040900283904E12</double>
          <double>1.04843056512E12</double>
          <double>1.05526879872E12</double>
          <double>1.061526477824E12</double>
          <double>1.067314910464E12</double>
          <double>1.072719775232E12</double>
          <double>1.077791753472E12</double>
          <double>1.082587659008E12</double>
          <double>1.087201475072E12</double>
          <double>1.091722992384E12</double>
          <double>1.096179955456E12</double>
          <double>1.100553569024E12</double>
          <double>1.104837248E12</double>
          <double>1.109041397504E12</double>
          <double>1.113150798848E12</double>
          <double>1.117129619968E12</double>
          <double>1.120983224832E12</double>
          <double>1.124777213696E12</double>
          <double>1.128573776128E12</double>
          <double>1.132372063232E12</double>
          <double>1.136124894464E12</double>
          <double>1.139787091456E12</double>
          <double>1.14332540032E12</double>
          <double>1.146703060224E12</double>
          <double>1.149888196096E12</double>
          <double>1.152878547712E12</double>
          <double>1.155699431424E12</double>
          <double>1.158373766912E12</double>
          <double>1.160903563264E12</double>
          <double>1.163280955392E12</double>
          <double>1.165507369728E12</double>
          <double>1.167596479232E12</double>
          <double>1.169561306624E12</double>
          <double>1.171403990016E12</double>
          <double>1.173122772224E12</double>
          <double>1.174728434688E12</double>
          <double>1.17624605824E12</double>
          <double>1.17769588992E12</double>
          <double>1.1790807104E12</double>
          <double>1.180401101312E12</double>
          <double>1.181674920448E12</double>
          <double>1.182926029824E12</double>
          <double>1.184155569408E12</double>
          <double>1.1853399424E12</double>
          <double>1.1864593728E12</double>
          <double>1.187514897664E12</double>
          <double>1.188514809856E12</double>
          <double>1.18946088704E12</double>
          <double>1.190357948928E12</double>
          <double>1.191226034176E12</double>
          <double>1.19209020928E12</double>
          <double>1.192959922432E12</double>
          <double>1.1938239744E12</double>
          <double>1.19466355072E12</double>
          <double>1.195467305984E12</double>
          <double>1.196237014016E12</double>
          <double>1.196980888064E12</double>
          <double>1.197699900416E12</double>
          <double>1.198383561984E12</double>
          <double>1.199025323264E12</double>
          <double>1.199638526208E12</double>
          <double>1.200245598976E12</double>
          <double>1.200850601728E12</double>
          <double>1.2014343936E12</double>
          <double>1.2019812352E12</double>
          <double>1.202500298752E12</double>
          <double>1.203016280576E12</double>
          <double>1.203548225792E12</double>
          <double>1.2041023424E12</double>
          <double>1.204674679552E12</double>
          <double>1.205252286208E12</double>
          <double>1.205819685888E12</double>
          <double>1.206373096448E12</double>
          <double>1.20692247808E12</double>
          <double>1.207472516864E12</double>
          <double>1.2080097024E12</double>
          <double>1.208518702848E12</double>
          <double>1.209004621312E12</double>
          <double>1.209484337152E12</double>
          <double>1.20995744512E12</double>
          <double>1.210402393088E12</double>
          <double>1.21080850048E12</double>
          <double>1.211199611392E12</double>
          <double>1.21161167616E12</double>
          <double>1.21161167616E12</double>
        </data>
        <size>
          <int>231</int>
        </size>
        <fullSize>
          <int>231</int>
        </fullSize>
        <fullRange>
          <PhysicalRange>
            <start>7.474243798219859</start>
            <end>7.417992088100931</end>
            <ref>599.89996423</ref>
            <unit>ppm</unit>
          </PhysicalRange>
        </fullRange>
        <intensityRange class="PhysicalRange">
          <start>1.80956672E8</start>
          <end>1.21161167616E12</end>
          <ref>1.0</ref>
          <unit></unit>
        </intensityRange>
        <integratedIndexRange class="de.bruker.nmr.jview.data.IndexRange">
          <start>21239</start>
          <num>231</num>
        </integratedIndexRange>
        <normalizingFactor>1.0</normalizingFactor>
        <iBias>0.0</iBias>
        <iSlope>0.0</iSlope>
        <baselineCorr>false</baselineCorr>
        <baselinePoints>4</baselinePoints>
        <thisCluster>6929</thisCluster>
        <label></label>
        <comment></comment>
        <isModified>false</isModified>
        <createdByAutomation>true</createdByAutomation>
        <type>Substance</type>
        <visibilityDisplay>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
        </visibilityDisplay>
        <visibilityHint>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
        </visibilityHint>
        <protonContent>1.0</protonContent>
        <isConsistent>true</isConsistent>
        <usedForEretic>true</usedForEretic>
        <concentration>1.2178937349516088</concentration>
      </PeakCluster>
      <PeakCluster>
        <properties/>
        <dataType>INTEGRAL</dataType>
        <dataName>name not defined</dataName>
        <selected>false</selected>
        <dataVisible>true</dataVisible>
        <dimension>1</dimension>
        <data>
          <double>2.8208128E7</double>
          <double>7.74592E7</double>
          <double>1.35676672E8</double>
          <double>1.93579776E8</double>
          <double>2.43212288E8</double>
          <double>2.8284928E8</double>
          <double>3.23371008E8</double>
          <double>3.77536256E8</double>
          <double>4.44389376E8</double>
          <double>5.13797632E8</double>
          <double>5.79879168E8</double>
          <double>6.3801216E8</double>
          <double>6.78083584E8</double>
          <double>6.98093056E8</double>
          <double>7.17433344E8</double>
          <double>7.57197312E8</double>
          <double>8.11078656E8</double>
          <double>8.54352896E8</double>
          <double>8.78643712E8</double>
          <double>8.99241216E8</double>
          <double>9.30626304E8</double>
          <double>9.74326528E8</double>
          <double>1.030118656E9</double>
          <double>1.099341824E9</double>
          <double>1.17500288E9</double>
          <double>1.24584576E9</double>
          <double>1.312891392E9</double>
          <double>1.388069376E9</double>
          <double>1.4768768E9</double>
          <double>1.576134144E9</double>
          <double>1.684896768E9</double>
          <double>1.799926528E9</double>
          <double>1.904145664E9</double>
          <double>1.98099328E9</double>
          <double>2.040002304E9</double>
          <double>2.1068672E9</double>
          <double>2.186913536E9</double>
          <double>2.259940352E9</double>
          <double>2.31360384E9</double>
          <double>2.358903552E9</double>
          <double>2.406719744E9</double>
          <double>2.451095552E9</double>
          <double>2.485139456E9</double>
          <double>2.51532288E9</double>
          <double>2.550758912E9</double>
          <double>2.593795584E9</double>
          <double>2.648618752E9</double>
          <double>2.723272448E9</double>
          <double>2.814402816E9</double>
          <double>2.902942464E9</double>
          <double>2.97229184E9</double>
          <double>3.021470208E9</double>
          <double>3.060329216E9</double>
          <double>3.106578944E9</double>
          <double>3.186193664E9</double>
          <double>3.31502592E9</double>
          <double>3.474821888E9</double>
          <double>3.627340288E9</double>
          <double>3.759393024E9</double>
          <double>3.89685504E9</double>
          <double>4.069763584E9</double>
          <double>4.283973632E9</double>
          <double>4.534430208E9</double>
          <double>4.825824256E9</double>
          <double>5.168952576E9</double>
          <double>5.570975744E9</double>
          <double>6.034568704E9</double>
          <double>6.549853184E9</double>
          <double>7.084067584E9</double>
          <double>7.600854528E9</double>
          <double>8.096306688E9</double>
          <double>8.59587712E9</double>
          <double>9.112192E9</double>
          <double>9.631253504E9</double>
          <double>1.0146140416E10</double>
          <double>1.0674777344E10</double>
          <double>1.123238912E10</double>
          <double>1.1814726912E10</double>
          <double>1.2423586304E10</double>
          <double>1.3081415168E10</double>
          <double>1.3801966848E10</double>
          <double>1.4570162688E10</double>
          <double>1.5369475584E10</double>
          <double>1.6208194816E10</double>
          <double>1.7103411712E10</double>
          <double>1.8062757632E10</double>
          <double>1.9097864192E10</double>
          <double>2.0230162944E10</double>
          <double>2.1464653312E10</double>
          <double>2.2782164992E10</double>
          <double>2.4176013824E10</double>
          <double>2.5673013248E10</double>
          <double>2.7303579392E10</double>
          <double>2.9079938048E10</double>
          <double>3.1020814336E10</double>
          <double>3.3167058688E10</double>
          <double>3.5557170432E10</double>
          <double>3.8224920064E10</double>
          <double>4.1240587008E10</double>
          <double>4.471151872E10</double>
          <double>4.871814144E10</double>
          <double>5.3301209088E10</double>
          <double>5.8552095232E10</double>
          <double>6.4674867968E10</double>
          <double>7.1929115136E10</double>
          <double>8.0571704576E10</double>
          <double>9.0909333504E10</double>
          <double>1.03369509888E11</double>
          <double>1.18496784896E11</double>
          <double>1.36969477376E11</double>
          <double>1.5968007808E11</double>
          <double>1.87694568704E11</double>
          <double>2.22059351808E11</double>
          <double>2.63854088192E11</double>
          <double>3.14723027456E11</double>
          <double>3.77264168448E11</double>
          <double>4.5435139584E11</double>
          <double>5.4746008448E11</double>
          <double>6.5523928448E11</double>
          <double>7.73434059008E11</double>
          <double>8.96085920768E11</double>
          <double>1.017179765504E12</double>
          <double>1.132037609472E12</double>
          <double>1.238063194112E12</double>
          <double>1.334590498304E12</double>
          <double>1.421989697792E12</double>
          <double>1.500736787456E12</double>
          <double>1.571093014784E12</double>
          <double>1.633308508416E12</double>
          <double>1.687816620544E12</double>
          <double>1.735210230528E12</double>
          <double>1.776200022016E12</double>
          <double>1.81163431808E12</double>
          <double>1.842418630144E12</double>
          <double>1.869328298752E12</double>
          <double>1.89293767808E12</double>
          <double>1.913724763392E12</double>
          <double>1.932138345984E12</double>
          <double>1.948519990016E12</double>
          <double>1.963044432128E12</double>
          <double>1.9757997184E12</double>
          <double>1.986892023808E12</double>
          <double>1.996459621888E12</double>
          <double>2.004658294016E12</double>
          <double>2.011680777216E12</double>
          <double>2.017743524864E12</double>
          <double>2.023014302208E12</double>
          <double>2.02758832512E12</double>
          <double>2.031557733888E12</double>
          <double>2.035053941504E12</double>
          <double>2.038190293504E12</double>
          <double>2.041013819904E12</double>
          <double>2.043553529088E12</double>
          <double>2.045872094208E12</double>
          <double>2.048026712064E12</double>
          <double>2.050018952192E12</double>
          <double>2.051833718528E12</double>
          <double>2.053502038272E12</double>
          <double>2.055081193472E12</double>
          <double>2.056594303488E12</double>
          <double>2.058030528512E12</double>
          <double>2.059387008512E12</double>
          <double>2.060673078784E12</double>
          <double>2.061889564928E12</double>
          <double>2.063039661568E12</double>
          <double>2.064146132992E12</double>
          <double>2.065226366464E12</double>
          <double>2.066267717632E12</double>
          <double>2.067260540928E12</double>
          <double>2.068237665536E12</double>
          <double>2.068237665536E12</double>
        </data>
        <size>
          <int>171</int>
        </size>
        <fullSize>
          <int>171</int>
        </fullSize>
        <fullRange>
          <PhysicalRange>
            <start>2.6339064288124643</start>
            <end>2.5923290778549966</end>
            <ref>599.89996423</ref>
            <unit>ppm</unit>
          </PhysicalRange>
        </fullRange>
        <intensityRange class="PhysicalRange">
          <start>2.8208128E7</start>
          <end>2.068237665536E12</end>
          <ref>1.0</ref>
          <unit></unit>
        </intensityRange>
        <integratedIndexRange class="de.bruker.nmr.jview.data.IndexRange">
          <start>41030</start>
          <num>171</num>
        </integratedIndexRange>
        <normalizingFactor>1.0</normalizingFactor>
        <iBias>0.0</iBias>
        <iSlope>0.0</iSlope>
        <baselineCorr>false</baselineCorr>
        <baselinePoints>4</baselinePoints>
        <thisCluster>6930</thisCluster>
        <label></label>
        <comment></comment>
        <isModified>false</isModified>
        <createdByAutomation>true</createdByAutomation>
        <type>Substance</type>
        <visibilityDisplay>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
        </visibilityDisplay>
        <visibilityHint>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
        </visibilityHint>
        <protonContent>2.0</protonContent>
        <isConsistent>true</isConsistent>
        <usedForEretic>false</usedForEretic>
        <concentration>0.0</concentration>
      </PeakCluster>
      <PeakCluster>
        <properties/>
        <dataType>INTEGRAL</dataType>
        <dataName>name not defined</dataName>
        <selected>false</selected>
        <dataVisible>true</dataVisible>
        <dimension>1</dimension>
        <data>
          <double>5.3079296E7</double>
          <double>1.34750208E8</double>
          <double>2.3532928E8</double>
          <double>3.57829376E8</double>
          <double>5.11698944E8</double>
          <double>6.85328384E8</double>
          <double>8.54158336E8</double>
          <double>1.013820672E9</double>
          <double>1.17877504E9</double>
          <double>1.347865344E9</double>
          <double>1.498546944E9</double>
          <double>1.621366016E9</double>
          <double>1.735433728E9</double>
          <double>1.859566336E9</double>
          <double>1.989714176E9</double>
          <double>2.118012672E9</double>
          <double>2.255259904E9</double>
          <double>2.417487872E9</double>
          <double>2.60258048E9</double>
          <double>2.795493888E9</double>
          <double>2.986880256E9</double>
          <double>3.172855296E9</double>
          <double>3.346870272E9</double>
          <double>3.509004032E9</double>
          <double>3.67687424E9</double>
          <double>3.868822528E9</double>
          <double>4.076368128E9</double>
          <double>4.268124672E9</double>
          <double>4.424012288E9</double>
          <double>4.55590656E9</double>
          <double>4.692804608E9</double>
          <double>4.853637632E9</double>
          <double>5.035693568E9</double>
          <double>5.222224896E9</double>
          <double>5.399116544E9</double>
          <double>5.568019968E9</double>
          <double>5.742829312E9</double>
          <double>5.930733056E9</double>
          <double>6.12163584E9</double>
          <double>6.302571776E9</double>
          <double>6.47741312E9</double>
          <double>6.662497024E9</double>
          <double>6.865144576E9</double>
          <double>7.07714944E9</double>
          <double>7.289786624E9</double>
          <double>7.505192192E9</double>
          <double>7.73026432E9</double>
          <double>7.96704256E9</double>
          <double>8.211913216E9</double>
          <double>8.458469376E9</double>
          <double>8.699833344E9</double>
          <double>8.934221312E9</double>
          <double>9.168787712E9</double>
          <double>9.410993664E9</double>
          <double>9.655910144E9</double>
          <double>9.891155968E9</double>
          <double>1.0116466944E10</double>
          <double>1.0347841024E10</double>
          <double>1.05965888E10</double>
          <double>1.0853594368E10</double>
          <double>1.1102922496E10</double>
          <double>1.1344316672E10</double>
          <double>1.159207552E10</double>
          <double>1.1855269632E10</double>
          <double>1.21294336E10</double>
          <double>1.2406709248E10</double>
          <double>1.2683574528E10</double>
          <double>1.2956380416E10</double>
          <double>1.32192192E10</double>
          <double>1.3472927744E10</double>
          <double>1.3731045888E10</double>
          <double>1.4009731584E10</double>
          <double>1.4312423424E10</double>
          <double>1.4628022528E10</double>
          <double>1.4942742528E10</double>
          <double>1.5250626304E10</double>
          <double>1.5554951168E10</double>
          <double>1.5864745984E10</double>
          <double>1.618966784E10</double>
          <double>1.6532852736E10</double>
          <double>1.6887160576E10</double>
          <double>1.724264832E10</double>
          <double>1.759934848E10</double>
          <double>1.7967904512E10</double>
          <double>1.8354578944E10</double>
          <double>1.8750471168E10</double>
          <double>1.91410752E10</double>
          <double>1.9524257536E10</double>
          <double>1.9913549824E10</double>
          <double>2.0324553472E10</double>
          <double>2.0762415616E10</double>
          <double>2.1221891072E10</double>
          <double>2.1695501312E10</double>
          <double>2.2181542912E10</double>
          <double>2.2685901056E10</double>
          <double>2.3212854016E10</double>
          <double>2.3751276544E10</double>
          <double>2.4277102336E10</double>
          <double>2.4778972672E10</double>
          <double>2.527714816E10</double>
          <double>2.5804056832E10</double>
          <double>2.63663424E10</double>
          <double>2.6940277248E10</double>
          <double>2.7507839232E10</double>
          <double>2.8081452544E10</double>
          <double>2.8683730176E10</double>
          <double>2.931685248E10</double>
          <double>2.9967743232E10</double>
          <double>3.0635837696E10</double>
          <double>3.1337311488E10</double>
          <double>3.2081049088E10</double>
          <double>3.2855715328E10</double>
          <double>3.3647043072E10</double>
          <double>3.4458638848E10</double>
          <double>3.5307975936E10</double>
          <double>3.6206055936E10</double>
          <double>3.7148181248E10</double>
          <double>3.8124708608E10</double>
          <double>3.9135057152E10</double>
          <double>4.0186864896E10</double>
          <double>4.1284413184E10</double>
          <double>4.2427412992E10</double>
          <double>4.3626443008E10</double>
          <double>4.4911076608E10</double>
          <double>4.6310811648E10</double>
          <double>4.7832299008E10</double>
          <double>4.9471279872E10</double>
          <double>5.1247271936E10</double>
          <double>5.3207472384E10</double>
          <double>5.5389138176E10</double>
          <double>5.7794846464E10</double>
          <double>6.0412578048E10</double>
          <double>6.3236930304E10</double>
          <double>6.6250300416E10</double>
          <double>6.9402028288E10</double>
          <double>7.2637530624E10</double>
          <double>7.5944991488E10</double>
          <double>7.9348407296E10</double>
          <double>8.2855831552E10</double>
          <double>8.6439091456E10</double>
          <double>9.0064924672E10</double>
          <double>9.3717200384E10</double>
          <double>9.7378084352E10</double>
          <double>1.01011619072E11</double>
          <double>1.04583366912E11</double>
          <double>1.08084201472E11</double>
          <double>1.11526253824E11</double>
          <double>1.14932910848E11</double>
          <double>1.18346060288E11</double>
          <double>1.21828393728E11</double>
          <double>1.25444276992E11</double>
          <double>1.29251254528E11</double>
          <double>1.3332483712E11</double>
          <double>1.37778990336E11</double>
          <double>1.42746554112E11</double>
          <double>1.48352591104E11</double>
          <double>1.54725801984E11</double>
          <double>1.6202370176E11</double>
          <double>1.70425386752E11</double>
          <double>1.8011849728E11</double>
          <double>1.91336133632E11</double>
          <double>2.04401088E11</double>
          <double>2.19653790976E11</double>
          <double>2.3723562368E11</double>
          <double>2.56876166656E11</double>
          <double>2.77864147968E11</double>
          <double>2.99229757952E11</double>
          <double>3.20014758656E11</double>
          <double>3.39493357568E11</double>
          <double>3.57277857792E11</double>
          <double>3.73298909952E11</double>
          <double>3.87686922752E11</double>
          <double>4.0062675328E11</double>
          <double>4.12274047488E11</double>
          <double>4.22763975168E11</double>
          <double>4.32261460992E11</double>
          <double>4.4098752384E11</double>
          <double>4.49209371136E11</double>
          <double>4.5721859328E11</double>
          <double>4.653087744E11</double>
          <double>4.73755481344E11</double>
          <double>4.82821943296E11</double>
          <double>4.92801103104E11</double>
          <double>5.0403542016E11</double>
          <double>5.16830279936E11</double>
          <double>5.31276378624E11</double>
          <double>5.47119652352E11</double>
          <double>5.63796763392E11</double>
          <double>5.80607043584E11</double>
          <double>5.96901208832E11</double>
          <double>6.12210841856E11</double>
          <double>6.26307084288E11</double>
          <double>6.39178650368E11</double>
          <double>6.50930738688E11</double>
          <double>6.61676153088E11</double>
          <double>6.71511984384E11</double>
          <double>6.8057522816E11</double>
          <double>6.89075229696E11</double>
          <double>6.97252954112E11</double>
          <double>7.05335074304E11</double>
          <double>7.1355497216E11</double>
          <double>7.22210194688E11</double>
          <double>7.3167618304E11</double>
          <double>7.42345995776E11</double>
          <double>7.5451713792E11</double>
          <double>7.68258890752E11</double>
          <double>7.83318916352E11</double>
          <double>7.99150328064E11</double>
          <double>8.1507696384E11</double>
          <double>8.30498152192E11</double>
          <double>8.45008901632E11</double>
          <double>8.5840760704E11</double>
          <double>8.7064736E11</double>
          <double>8.81776819968E11</double>
          <double>8.9188348416E11</double>
          <double>9.01058378752E11</double>
          <double>9.09400306432E11</double>
          <double>9.17039755776E11</double>
          <double>9.24146311168E11</double>
          <double>9.30916583424E11</double>
          <double>9.37562451712E11</double>
          <double>9.4430648576E11</double>
          <double>9.51392809472E11</double>
          <double>9.591330496E11</double>
          <double>9.67957989888E11</double>
          <double>9.7837213312E11</double>
          <double>9.90756300544E11</double>
          <double>1.005133778176E12</double>
          <double>1.02109499008E12</double>
          <double>1.03794083968E12</double>
          <double>1.054921714688E12</double>
          <double>1.0714250432E12</double>
          <double>1.087061434368E12</double>
          <double>1.101659502592E12</double>
          <double>1.115187282432E12</double>
          <double>1.127650029568E12</double>
          <double>1.1390402816E12</double>
          <double>1.1493595136E12</double>
          <double>1.158649270016E12</double>
          <double>1.166981305088E12</double>
          <double>1.174432733184E12</double>
          <double>1.181087074048E12</double>
          <double>1.187047086592E12</double>
          <double>1.192425907968E12</double>
          <double>1.197324165632E12</double>
          <double>1.201821899264E12</double>
          <double>1.205987262464E12</double>
          <double>1.209885327104E12</double>
          <double>1.213580672768E12</double>
          <double>1.217132280064E12</double>
          <double>1.220578599168E12</double>
          <double>1.223928196096E12</double>
          <double>1.22717677312E12</double>
          <double>1.230332999168E12</double>
          <double>1.233412134912E12</double>
          <double>1.23640637696E12</double>
          <double>1.239289879808E12</double>
          <double>1.242066188032E12</double>
          <double>1.244785979136E12</double>
          <double>1.247495741952E12</double>
          <double>1.250184830976E12</double>
          <double>1.252805191168E12</double>
          <double>1.25532888576E12</double>
          <double>1.257758639616E12</double>
          <double>1.260089151744E12</double>
          <double>1.262289582848E12</double>
          <double>1.264331721472E12</double>
          <double>1.266216292864E12</double>
          <double>1.267964762112E12</double>
          <double>1.269598749184E12</double>
          <double>1.271131400704E12</double>
          <double>1.272565897984E12</double>
          <double>1.2738972928E12</double>
          <double>1.275125319168E12</double>
          <double>1.276268620288E12</double>
          <double>1.277358168832E12</double>
          <double>1.278414847232E12</double>
          <double>1.279439921152E12</double>
          <double>1.28042513152E12</double>
          <double>1.281362240768E12</double>
          <double>1.282244825856E12</double>
          <double>1.28307339392E12</double>
          <double>1.28386027136E12</double>
          <double>1.284619393792E12</double>
          <double>1.285350783744E12</double>
          <double>1.286044653056E12</double>
          <double>1.286699298048E12</double>
          <double>1.287323150592E12</double>
          <double>1.287920937728E12</double>
          <double>1.288492960256E12</double>
          <double>1.28904868864E12</double>
          <double>1.28960344448E12</double>
          <double>1.290155890944E12</double>
          <double>1.290684695552E12</double>
          <double>1.291175763712E12</double>
          <double>1.291638614272E12</double>
          <double>1.292086161408E12</double>
          <double>1.292512433664E12</double>
          <double>1.292904451328E12</double>
          <double>1.293266610688E12</double>
          <double>1.293618433792E12</double>
          <double>1.293973511424E12</double>
          <double>1.294333010432E12</double>
          <double>1.294693764352E12</double>
          <double>1.29504777216E12</double>
          <double>1.295377233152E12</double>
          <double>1.295667497216E12</double>
          <double>1.295927939072E12</double>
          <double>1.29618604544E12</double>
          <double>1.2964556032E12</double>
          <double>1.29672253312E12</double>
          <double>1.29696907264E12</double>
          <double>1.297200835328E12</double>
          <double>1.297438241024E12</double>
          <double>1.29768686208E12</double>
          <double>1.29792943232E12</double>
          <double>1.298148148992E12</double>
          <double>1.2983450816E12</double>
          <double>1.298537412352E12</double>
          <double>1.298740576512E12</double>
          <double>1.29896091392E12</double>
          <double>1.299196926464E12</double>
          <double>1.299437710336E12</double>
          <double>1.299437710336E12</double>
        </data>
        <size>
          <int>324</int>
        </size>
        <fullSize>
          <int>324</int>
        </fullSize>
        <fullRange>
          <PhysicalRange>
            <start>7.227225419001958</start>
            <end>7.148228452182768</end>
            <ref>599.89996423</ref>
            <unit>ppm</unit>
          </PhysicalRange>
        </fullRange>
        <intensityRange class="PhysicalRange">
          <start>5.3079296E7</start>
          <end>1.299437710336E12</end>
          <ref>1.0</ref>
          <unit></unit>
        </intensityRange>
        <integratedIndexRange class="de.bruker.nmr.jview.data.IndexRange">
          <start>22249</start>
          <num>324</num>
        </integratedIndexRange>
        <normalizingFactor>1.0</normalizingFactor>
        <iBias>0.0</iBias>
        <iSlope>0.0</iSlope>
        <baselineCorr>false</baselineCorr>
        <baselinePoints>4</baselinePoints>
        <thisCluster>6931</thisCluster>
        <label></label>
        <comment></comment>
        <isModified>false</isModified>
        <createdByAutomation>true</createdByAutomation>
        <type>Substance</type>
        <visibilityDisplay>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
        </visibilityDisplay>
        <visibilityHint>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
        </visibilityHint>
        <protonContent>1.0</protonContent>
        <isConsistent>true</isConsistent>
        <usedForEretic>false</usedForEretic>
        <concentration>0.0</concentration>
      </PeakCluster>
    </peakClusters>
  </integralRange>
  <prop>
    <property name="PURITY_AUTOMATION" value="High"/>
  </prop>
</CmcaProject>