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sample_file.peakml
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<?xml version="1.0" encoding="UTF-8"?>
<?xml-stylesheet type="text/xml" href=""?>
<peakml version="1.0.0">
<header>
<nrpeaks>959</nrpeaks>
<date>November 16, 2018</date>
<owner />
<description />
<sets>
<set>
<id>Blank</id>
<type>0</type>
<measurementids>AAAAAAAAAAE=</measurementids>
</set>
<set>
<id>IPA_Beard</id>
<type>0</type>
<measurementids>AAAAAgAAAAMAAAAE</measurementids>
</set>
<set>
<id>IPA_Bust</id>
<type>0</type>
<measurementids>AAAABQAAAAYAAAAH</measurementids>
</set>
<set>
<id>IPA_Green</id>
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<measurementids>AAAACAAAAAkAAAAK</measurementids>
</set>
<set>
<id>IPA_Hob</id>
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<measurementids>AAAACwAAAAwAAAAN</measurementids>
</set>
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<id>IPA_Old</id>
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</set>
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<id>IPA_Punk</id>
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</set>
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<id>IPA_Thorn</id>
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<measurementids>AAAAFAAAABUAAAAW</measurementids>
</set>
<set>
<id>Lag_Beck</id>
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<measurementids>AAAAFwAAABgAAAAZ</measurementids>
</set>
<set>
<id>Lag_Bud</id>
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</set>
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<id>Lag_Cob</id>
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</set>
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<id>Lag_Est</id>
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</set>
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<id>Lag_Hob</id>
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</set>
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<id>Lag_Per</id>
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<measurementids>AAAAJgAAACcAAAAo</measurementids>
</set>
<set>
<id>Lag_San</id>
<type>0</type>
<measurementids>AAAAKQAAACoAAAAr</measurementids>
</set>
<set>
<id>Port_Brew</id>
<type>0</type>
<measurementids>AAAALAAAAC0AAAAu</measurementids>
</set>
<set>
<id>Port_Coffee</id>
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<measurementids>AAAALwAAADAAAAAx</measurementids>
</set>
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<id>Port_Drag</id>
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</set>
<set>
<id>Port_Guin</id>
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<measurementids>AAAANQAAADYAAAA3</measurementids>
</set>
<set>
<id>Port_Lond</id>
<type>0</type>
<measurementids>AAAAOAAAADkAAAA6</measurementids>
</set>
<set>
<id>Port_Rob</id>
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<measurementids>AAAAOwAAADwAAAA9</measurementids>
</set>
<set>
<id>Port_White</id>
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<measurementids>AAAAPgAAAD8AAABA</measurementids>
</set>
<set>
<id>QC</id>
<type>0</type>
<measurementids>AAAAQQAAAEIAAABDAAAARAAAAEUAAABGAAAARwAAAEgAAABJAAAASgAAAEsAAABMAAAATQAAAE4AAABPAAAAUAAAAFEAAABSAAAAUwAAAFQAAABV</measurementids>
</set>
</sets>
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<measurement>
<id>0</id>
<label>Blank_01b_POS</label>
<sampleid>Blank_01b_POS</sampleid>
<scans>
<scan>
<polarity>POSITIVE</polarity>
<retentiontime>0.301082772</retentiontime>
<annotations>
<annotation unit="">
<label>RT_raw</label>
<value>0.301082772</value>
<valuetype>STRING</valuetype>
</annotation>
</annotations>
</scan>
</scans>
<files>
<file>
<label>Blank_01b_POS.mzML</label>
<name>Blank_01b_POS.mzML</name>
<location>/home/mqbpqfd2/.dropbox-alt/Dropbox (The University of Manchester)/IPA_code&manuscript/Beer_dataset/./data/Blank</location>
</file>
</files>
</measurement>
<measurement>
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<label>Blank_01c_POS</label>
<sampleid>Blank_01c_POS</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>2</id>
<label>IPA_Beard_POS_1</label>
<sampleid>IPA_Beard_POS_1</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>3</id>
<label>IPA_Beard_POS_2</label>
<sampleid>IPA_Beard_POS_2</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>4</id>
<label>IPA_Beard_POS_3</label>
<sampleid>IPA_Beard_POS_3</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>5</id>
<label>IPA_Bust_POS_1</label>
<sampleid>IPA_Bust_POS_1</sampleid>
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<files />
</measurement>
<measurement>
<id>6</id>
<label>IPA_Bust_POS_2</label>
<sampleid>IPA_Bust_POS_2</sampleid>
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<files />
</measurement>
<measurement>
<id>7</id>
<label>IPA_Bust_POS_3</label>
<sampleid>IPA_Bust_POS_3</sampleid>
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<files />
</measurement>
<measurement>
<id>8</id>
<label>IPA_Green_POS_1</label>
<sampleid>IPA_Green_POS_1</sampleid>
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<files />
</measurement>
<measurement>
<id>9</id>
<label>IPA_Green_POS_2</label>
<sampleid>IPA_Green_POS_2</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>10</id>
<label>IPA_Green_POS_3</label>
<sampleid>IPA_Green_POS_3</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>11</id>
<label>IPA_Hob_POS_1</label>
<sampleid>IPA_Hob_POS_1</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>12</id>
<label>IPA_Hob_POS_2</label>
<sampleid>IPA_Hob_POS_2</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>13</id>
<label>IPA_Hob_POS_3</label>
<sampleid>IPA_Hob_POS_3</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>14</id>
<label>IPA_Old_POS_1</label>
<sampleid>IPA_Old_POS_1</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>15</id>
<label>IPA_Old_POS_2</label>
<sampleid>IPA_Old_POS_2</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>16</id>
<label>IPA_Old_POS_3</label>
<sampleid>IPA_Old_POS_3</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>17</id>
<label>IPA_Punk_POS_1</label>
<sampleid>IPA_Punk_POS_1</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>18</id>
<label>IPA_Punk_POS_2</label>
<sampleid>IPA_Punk_POS_2</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>19</id>
<label>IPA_Punk_POS_3</label>
<sampleid>IPA_Punk_POS_3</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>20</id>
<label>IPA_Thorn_POS_1</label>
<sampleid>IPA_Thorn_POS_1</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>21</id>
<label>IPA_Thorn_POS_2</label>
<sampleid>IPA_Thorn_POS_2</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>22</id>
<label>IPA_Thorn_POS_3</label>
<sampleid>IPA_Thorn_POS_3</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>23</id>
<label>Lag_Beck_POS_1</label>
<sampleid>Lag_Beck_POS_1</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>24</id>
<label>Lag_Beck_POS_2</label>
<sampleid>Lag_Beck_POS_2</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>25</id>
<label>Lag_Beck_POS_3</label>
<sampleid>Lag_Beck_POS_3</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>26</id>
<label>Lag_Bud_POS_1</label>
<sampleid>Lag_Bud_POS_1</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>27</id>
<label>Lag_Bud_POS_2</label>
<sampleid>Lag_Bud_POS_2</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>28</id>
<label>Lag_Bud_POS_3</label>
<sampleid>Lag_Bud_POS_3</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>29</id>
<label>Lag_Cob_POS_1</label>
<sampleid>Lag_Cob_POS_1</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>30</id>
<label>Lag_Cob_POS_2</label>
<sampleid>Lag_Cob_POS_2</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>31</id>
<label>Lag_Cob_POS_3</label>
<sampleid>Lag_Cob_POS_3</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>32</id>
<label>Lag_Est_POS_1</label>
<sampleid>Lag_Est_POS_1</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>33</id>
<label>Lag_Est_POS_2</label>
<sampleid>Lag_Est_POS_2</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>34</id>
<label>Lag_Est_POS_3</label>
<sampleid>Lag_Est_POS_3</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>35</id>
<label>Lag_Hop_POS_1</label>
<sampleid>Lag_Hop_POS_1</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>36</id>
<label>Lag_Hop_POS_2</label>
<sampleid>Lag_Hop_POS_2</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>37</id>
<label>Lag_Hop_POS_3</label>
<sampleid>Lag_Hop_POS_3</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>38</id>
<label>Lag_Per_POS_1</label>
<sampleid>Lag_Per_POS_1</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>39</id>
<label>Lag_Per_POS_2</label>
<sampleid>Lag_Per_POS_2</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>40</id>
<label>Lag_Per_POS_3</label>
<sampleid>Lag_Per_POS_3</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>41</id>
<label>Lag_San_POS_1</label>
<sampleid>Lag_San_POS_1</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>42</id>
<label>Lag_San_POS_2</label>
<sampleid>Lag_San_POS_2</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>43</id>
<label>Lag_San_POS_3</label>
<sampleid>Lag_San_POS_3</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>44</id>
<label>Port_Brew_POS_1</label>
<sampleid>Port_Brew_POS_1</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>45</id>
<label>Port_Brew_POS_2</label>
<sampleid>Port_Brew_POS_2</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>46</id>
<label>Port_Brew_POS_3</label>
<sampleid>Port_Brew_POS_3</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>47</id>
<label>Port_Coffee_POS_1</label>
<sampleid>Port_Coffee_POS_1</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>48</id>
<label>Port_Coffee_POS_2</label>
<sampleid>Port_Coffee_POS_2</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>49</id>
<label>Port_Coffee_POS_3</label>
<sampleid>Port_Coffee_POS_3</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>50</id>
<label>Port_Drag_POS_1</label>
<sampleid>Port_Drag_POS_1</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>51</id>
<label>Port_Drag_POS_2</label>
<sampleid>Port_Drag_POS_2</sampleid>
<scans />
<files />
</measurement>
<measurement>
<id>52</id>
<label>Port_Drag_POS_3</label>
<sampleid>Port_Drag_POS_3</sampleid>
<scans />
<files />
</measurement>
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<patternids>////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////</patternids>
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<patternids>////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////</patternids>
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<patternids>////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////</patternids>
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<sha1sum>8th7onqkd1UAFzpxcZGyytXRubA=</sha1sum>
<annotations>
<annotation unit="">
<label>codadw</label>
<value>0.989063788910469</value>
<valuetype>STRING</valuetype>
</annotation>
<annotation unit="">
<label>id</label>
<value>146</value>
<valuetype>STRING</valuetype>
</annotation>
<annotation unit="">