FileOrganization: data_forLCMSMS.xml

File data_forLCMSMS.xml, 4.1 KB (added by dbrentw, 5 years ago)

Example data.xml for LC-MS/MS projects

Line 
1<?xml version="1.0" encoding="UTF-8" standalone="yes"?>
2<data version="1.01">
3    <annotation>
4        <glycanAnn glycanId="DP6" derivatisationType="perMe" seqGWB="redEnd--??1D-Glc,p--??1D-Glc,p--??1D-Glc,p--??1D-Glc,p--??1D-Glc,p--??1D-Glc,p" id="411" selected="true" seq="RES&#xA;1b:o-dglc-HEX-0:0|1:aldi&#xA;2b:x-dglc-HEX-1:5&#xA;3b:x-dglc-HEX-1:5&#xA;4b:x-dglc-HEX-1:5&#xA;5b:x-dglc-HEX-1:5&#xA;6b:x-dglc-HEX-1:5&#xA;LIN&#xA;1:1o(-1+1)2d&#xA;2:2o(-1+1)3d&#xA;3:3o(-1+1)4d&#xA;4:4o(-1+1)5d&#xA;5:5o(-1+1)6d&#xA;" sequenceFormat="GlycoCTCondensed" type="org.grits.toolbox.ms.om.data.GlycanAnnotation">
5<!-- ******************** DETAIL REMOVED ************************************* -->
6                </glycanAnn>
7    </annotation>
8    <annotation>
9        <glycanAnn glycanId="dHex2Hex2HexNAc2" derivatisationType="perMe" seqGWB="redEnd--??1Hex,p(--??1HexNAc,p(--??1dHex,p)--??1HexNAc,p)--??1Hex,p--??1dHex,p" id="426" selected="true" seq="RES&#xA;1b:o-HEX-0:0|1:aldi&#xA;2b:x-HEX-1:5&#xA;3b:x-HEX-1:5&#xA;4s:n-acetyl&#xA;5b:x-HEX-1:5|6:d&#xA;6s:n-acetyl&#xA;7b:x-HEX-1:5&#xA;8b:x-HEX-1:5|6:d&#xA;LIN&#xA;1:1o(-1+1)2d&#xA;2:2o(-1+1)3d&#xA;3:3d(2+1)4n&#xA;4:2o(-1+1)5d&#xA;5:2d(2+1)6n&#xA;6:1o(-1+1)7d&#xA;7:7o(-1+1)8d&#xA;" sequenceFormat="GlycoCTCondensed" type="org.grits.toolbox.ms.om.data.GlycanAnnotation">
10<!-- ******************** DETAIL REMOVED ************************************* -->
11        </glycanAnn>
12    <dataHeader version="1.0">
13    </dataHeader>
14
15        <!-- NOTE: for LC-MS/MS data, no peak information is provided in data.xml (you open the individual scan xml file)  -->
16    <scans>
17        <item>
18            <key>1</key>
19            <value mostAbundantPeak="22726.248046875" msLevel="1" numAnnotatedPeaks="0" polarity="true" retentionTime="0.2789" scanEnd="1999.9530029296875" scanNo="1" scanStart="500.0833435058594">
20                <subScan>2</subScan>
21<!-- ******************** DETAIL REMOVED ************************************* -->
22            </value>
23        </item>
24        <item>
25            <key>2</key>
26            <value activationMethode="CID" mostAbundantPeak="31472.865234375" msLevel="2" numAnnotatedPeaks="0" parentScan="1" polarity="true" retentionTime="1.4322" scanEnd="878.591552734375" scanNo="2" scanStart="204.1309051513672">
27                <precursor id="10" intensity="22726.248046875" isPrecursor="true" mz="535.3341674804688" precursorCharge="-1" precursorIntensity="22726.248046875" precursorMz="535.3400268554688" relativeIntensity="1.0">
28                    <doubleProp/>
29                    <integerProp/>
30                    <stringProp/>
31                </precursor>
32            </value>
33        </item>
34<!-- ******************** DETAIL REMOVED ************************************* -->
35        <item>
36            <key>41657</key>
37            <value mostAbundantPeak="34546.0078125" msLevel="1" numAnnotatedPeaks="0" polarity="true" retentionTime="10797.9" scanEnd="1999.9530029296875" scanNo="41657" scanStart="500.0833435058594">
38                <subScan>41658</subScan>
39                <subScan>41659</subScan>
40                <subScan>41660</subScan>
41                <subScan>41661</subScan>
42                <subScan>41662</subScan>
43                <subScan>41663</subScan>
44                <subScan>41664</subScan>
45                <subScan>41665</subScan>
46                <subScan>41666</subScan>
47                <subScan>41667</subScan>
48            </value>
49        </item>
50<!-- ******************** DETAIL REMOVED ************************************* -->
51        <item>
52            <key>41667</key>
53            <value activationMethode="CID" mostAbundantPeak="12508.318359375" msLevel="2" numAnnotatedPeaks="0" parentScan="41657" polarity="true" retentionTime="10800.5" scanEnd="1102.441650390625" scanNo="41667" scanStart="204.1134033203125">
54                <precursor id="10" intensity="12952.974609375" isPrecursor="true" mz="570.501708984375" precursorCharge="-1" precursorIntensity="24804.1484375" precursorMz="570.530029296875" relativeIntensity="0.37494852313117766">
55                    <doubleProp/>
56                    <integerProp/>
57                    <stringProp/>
58                </precursor>
59            </value>
60        </item>
61    </scans>
62</data>