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Viewing changes to source/TEST/TOPP/FileFilter_12_output.mzML

  • Committer: Package Import Robot
  • Author(s): Filippo Rusconi
  • Date: 2012-11-12 15:58:12 UTC
  • Revision ID: package-import@ubuntu.com-20121112155812-vr15wtg9b50cuesg
Tags: upstream-1.9.0
Import upstream version 1.9.0

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source/TEST/TOPP/FileFilter_12_output.mzML
 
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<?xml version="1.0" encoding="ISO-8859-1"?>
 
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<mzML xmlns="http://psi.hupo.org/ms/mzml" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://psi.hupo.org/ms/mzml http://psidev.info/files/ms/mzML/xsd/mzML1.1.0.xsd" accession="document_accession" version="1.1.0">
 
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        <cvList count="2">
 
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                <cv id="MS" fullName="Proteomics Standards Initiative Mass Spectrometry Ontology" URI="http://psidev.cvs.sourceforge.net/*checkout*/psidev/psi/psi-ms/mzML/controlledVocabulary/psi-ms.obo"/>
 
5
                <cv id="UO" fullName="Unit Ontology" URI="http://obo.cvs.sourceforge.net/obo/obo/ontology/phenotype/unit.obo"/>
 
6
        </cvList>
 
7
        <fileDescription>
 
8
                <fileContent>
 
9
                        <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
 
10
                </fileContent>
 
11
                <sourceFileList count="2">
 
12
                        <sourceFile id="sf_ru_0" name="tiny1.RAW" location="file:///F:/data/Exp01">
 
13
                                <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="71be39fb2700ab2f3c8b2234b91274968b6899b1" />
 
14
                                <cvParam cvRef="MS" accession="MS:1000563" name="Thermo RAW file" />
 
15
                                <cvParam cvRef="MS" accession="MS:1000774" name="multiple peak list nativeID format" />
 
16
                                <userParam name="name" type="xsd:string" value="sourcefile1"/>
 
17
                        </sourceFile>
 
18
                        <sourceFile id="sf_sp_1" name="tiny1.dta" location="file:///F:/data/Exp01">
 
19
                                <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="81be39fb2700ab2f3c8b2234b91274968b6899b1" />
 
20
                                <cvParam cvRef="MS" accession="MS:1000613" name="DTA file" />
 
21
                                <cvParam cvRef="MS" accession="MS:1000824" name="no nativeID format" />
 
22
                                <userParam name="name" type="xsd:string" value="sourcefile4"/>
 
23
                        </sourceFile>
 
24
                </sourceFileList>
 
25
                <contact>
 
26
                        <cvParam cvRef="MS" accession="MS:1000586" name="contact name" value="Pennington, William" />
 
27
                        <cvParam cvRef="MS" accession="MS:1000590" name="contact organization" value="dort" />
 
28
                        <cvParam cvRef="MS" accession="MS:1000587" name="contact address" value="Higglesworth University, 12 Higglesworth Avenue, 12045, HI, USA" />
 
29
                        <cvParam cvRef="MS" accession="MS:1000588" name="contact URL" value="http://www.higglesworth.edu/" />
 
30
                        <cvParam cvRef="MS" accession="MS:1000589" name="contact email" value="wpennington@higglesworth.edu" />
 
31
                        <userParam name="name" type="xsd:string" value="contact1"/>
 
32
                </contact>
 
33
                <contact>
 
34
                        <cvParam cvRef="MS" accession="MS:1000586" name="contact name" value="Drek'Thar, " />
 
35
                        <cvParam cvRef="MS" accession="MS:1000590" name="contact organization" value="da" />
 
36
                        <userParam name="name" type="xsd:string" value="contact2"/>
 
37
                </contact>
 
38
        </fileDescription>
 
39
        <sampleList count="1">
 
40
                <sample id="sa_0" name="Sample1">
 
41
                        <cvParam cvRef="MS" accession="MS:1000001" name="sample number" value="5" />
 
42
                        <cvParam cvRef="MS" accession="MS:1000004" name="sample mass" value="11.7"  unitAccession="UO:0000021" unitName="gram" unitCvRef="UO" />
 
43
                        <cvParam cvRef="MS" accession="MS:1000005" name="sample volume" value="3.1" unitAccession="UO:0000098" unitName="milliliter" unitCvRef="UO" />
 
44
                        <cvParam cvRef="MS" accession="MS:1000006" name="sample concentration" value="5.5" unitAccession="UO:0000175" unitName="gram per liter" unitCvRef="UO" />
 
45
                        <cvParam cvRef="MS" accession="MS:1000052" name="suspension" />
 
46
                        <userParam name="name" type="xsd:string" value="sample"/>
 
47
                        <userParam name="sample batch" type="xsd:string" value="4.4"/>
 
48
                        <userParam name="brenda source tissue" type="xsd:string" value="cardiac muscle"/>
 
49
                        <userParam name="GO cellular component" type="xsd:string" value="nucleus"/>
 
50
                        <userParam name="cellular quality" type="xsd:string" value="11.11"/>
 
51
                </sample>
 
52
        </sampleList>
 
53
        <softwareList count="8">
 
54
                <software id="so_in_0" version="3.3.1 sp1" >
 
55
                        <cvParam cvRef="MS" accession="MS:1000533" name="Bioworks" />
 
56
                </software>
 
57
                <software id="so_default" version="" >
 
58
                        <cvParam cvRef="MS" accession="MS:1000799" name="custom unreleased software tool" value="" />
 
59
                </software>
 
60
                <software id="so_dp_sp_0_pm_0" version="2.0.5" >
 
61
                        <cvParam cvRef="MS" accession="MS:1000532" name="Xcalibur" />
 
62
                </software>
 
63
                <software id="so_dp_sp_0_pm_1" version="1.0" >
 
64
                        <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard" />
 
65
                </software>
 
66
                <software id="so_dp_sp_0_pm_2" version="version_string" >
 
67
                        <cvParam cvRef="MS" accession="MS:1000757" name="FileFilter" />
 
68
                </software>
 
69
                <software id="so_dp_sp_1_pm_0" version="2.0.5" >
 
70
                        <cvParam cvRef="MS" accession="MS:1000532" name="Xcalibur" />
 
71
                </software>
 
72
                <software id="so_dp_sp_1_pm_1" version="version_string" >
 
73
                        <cvParam cvRef="MS" accession="MS:1000757" name="FileFilter" />
 
74
                </software>
 
75
                <software id="so_dp_sp_1_bi_0_pm_0" version="1.6.1" >
 
76
                        <cvParam cvRef="MS" accession="MS:1000757" name="FileFilter" />
 
77
                </software>
 
78
        </softwareList>
 
79
        <instrumentConfigurationList count="1">
 
80
                <instrumentConfiguration id="ic_0">
 
81
                        <cvParam cvRef="MS" accession="MS:1000554" name="LCQ Deca" />
 
82
                        <cvParam cvRef="MS" accession="MS:1000032" name="customization" value="Umbau" />
 
83
                        <cvParam cvRef="MS" accession="MS:1000221" name="magnetic deflection" />
 
84
                        <userParam name="name" type="xsd:string" value="instrumentConfiguration"/>
 
85
                        <userParam name="instrument serial number" type="xsd:string" value="23433"/>
 
86
                        <componentList count="6">
 
87
                                <source order="101">
 
88
                                        <cvParam cvRef="MS" accession="MS:1000056" name="direct inlet" />
 
89
                                        <cvParam cvRef="MS" accession="MS:1000073" name="electrospray ionization" />
 
90
                                        <userParam name="name" type="xsd:string" value="source1"/>
 
91
                                </source>
 
92
                                <source order="102">
 
93
                                        <cvParam cvRef="MS" accession="MS:1000056" name="direct inlet" />
 
94
                                        <cvParam cvRef="MS" accession="MS:1000074" name="fast atom bombardment ionization" />
 
95
                                        <userParam name="name" type="xsd:string" value="source2"/>
 
96
                                </source>
 
97
                                <analyzer order="201">
 
98
                                        <cvParam cvRef="MS" accession="MS:1000014" name="accuracy" value="10.5" unitAccession="UO:0000169" unitName="parts per million" unitCvRef="UO" />
 
99
                                        <cvParam cvRef="MS" accession="MS:1000022" name="TOF Total Path Length" value="11.1" unitAccession="UO:0000008" unitName="meter" unitCvRef="UO" />
 
100
                                        <cvParam cvRef="MS" accession="MS:1000024" name="final MS exponent" value="0" />
 
101
                                        <cvParam cvRef="MS" accession="MS:1000025" name="magnetic field strength" value="14.56" unitAccession="UO:0000228" unitName="tesla" unitCvRef="UO" />
 
102
                                        <cvParam cvRef="MS" accession="MS:1000082" name="quadrupole ion trap" />
 
103
                                        <userParam name="name" type="xsd:string" value="analyzer1"/>
 
104
                                </analyzer>
 
105
                                <analyzer order="202">
 
106
                                        <cvParam cvRef="MS" accession="MS:1000014" name="accuracy" value="0" unitAccession="UO:0000169" unitName="parts per million" unitCvRef="UO" />
 
107
                                        <cvParam cvRef="MS" accession="MS:1000022" name="TOF Total Path Length" value="0" unitAccession="UO:0000008" unitName="meter" unitCvRef="UO" />
 
108
                                        <cvParam cvRef="MS" accession="MS:1000024" name="final MS exponent" value="0" />
 
109
                                        <cvParam cvRef="MS" accession="MS:1000025" name="magnetic field strength" value="1414.14" unitAccession="UO:0000228" unitName="tesla" unitCvRef="UO" />
 
110
                                        <cvParam cvRef="MS" accession="MS:1000291" name="linear ion trap" />
 
111
                                        <userParam name="name" type="xsd:string" value="analyzer2"/>
 
112
                                </analyzer>
 
113
                                <detector order="301">
 
114
                                        <cvParam cvRef="MS" accession="MS:1000028" name="detector resolution" value="5.1" />
 
115
                                        <cvParam cvRef="MS" accession="MS:1000029" name="sampling frequency" value="1.1" unitAccession="UO:0000106" unitName="hertz" unitCvRef="UO" />
 
116
                                        <cvParam cvRef="MS" accession="MS:1000119" name="time-digital converter" />
 
117
                                        <cvParam cvRef="MS" accession="MS:1000253" name="electron multiplier" />
 
118
                                        <userParam name="name" type="xsd:string" value="detector1"/>
 
119
                                </detector>
 
120
                                <detector order="302">
 
121
                                        <cvParam cvRef="MS" accession="MS:1000028" name="detector resolution" value="6.1" />
 
122
                                        <cvParam cvRef="MS" accession="MS:1000029" name="sampling frequency" value="1.1" unitAccession="UO:0000106" unitName="hertz" unitCvRef="UO" />
 
123
                                        <cvParam cvRef="MS" accession="MS:1000119" name="time-digital converter" />
 
124
                                        <cvParam cvRef="MS" accession="MS:1000253" name="electron multiplier" />
 
125
                                        <userParam name="name" type="xsd:string" value="detector2"/>
 
126
                                </detector>
 
127
                        </componentList>
 
128
                        <softwareRef ref="so_in_0" />
 
129
                </instrumentConfiguration>
 
130
        </instrumentConfigurationList>
 
131
        <dataProcessingList count="4">
 
132
                <dataProcessing id="dp_sp_0">
 
133
                        <processingMethod order="0" softwareRef="so_dp_sp_0_pm_0">
 
134
                                <cvParam cvRef="MS" accession="MS:1000034" name="charge deconvolution" />
 
135
                                <cvParam cvRef="MS" accession="MS:1000033" name="deisotoping" />
 
136
                                <cvParam cvRef="MS" accession="MS:1000747" name="completion time" value="2001-02-03+04:05" />
 
137
                                <userParam name="low_intensity_threshold" type="xsd:double" value="5.9"/>
 
138
                                <userParam name="high_intensity_threshold" type="xsd:double" value="10.9"/>
 
139
                                <userParam name="p1" type="xsd:string" value="value1"/>
 
140
                        </processingMethod>
 
141
                        <processingMethod order="0" softwareRef="so_dp_sp_0_pm_1">
 
142
                                <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" />
 
143
                                <cvParam cvRef="MS" accession="MS:1000747" name="completion time" value="2001-02-03+04:10" />
 
144
                                <userParam name="p2" type="xsd:string" value="value2"/>
 
145
                        </processingMethod>
 
146
                        <processingMethod order="0" softwareRef="so_dp_sp_0_pm_2">
 
147
                                <cvParam cvRef="MS" accession="MS:1001486" name="data filtering" />
 
148
                                <cvParam cvRef="MS" accession="MS:1000747" name="completion time" value="1999-12-31+23:59" />
 
149
                                <userParam name="parameter: mode" type="xsd:string" value="test_mode"/>
 
150
                        </processingMethod>
 
151
                </dataProcessing>
 
152
                <dataProcessing id="dp_sp_1">
 
153
                        <processingMethod order="0" softwareRef="so_dp_sp_1_pm_0">
 
154
                                <cvParam cvRef="MS" accession="MS:1000034" name="charge deconvolution" />
 
155
                                <cvParam cvRef="MS" accession="MS:1000033" name="deisotoping" />
 
156
                                <cvParam cvRef="MS" accession="MS:1000747" name="completion time" value="2001-02-03+04:05" />
 
157
                                <userParam name="low_intensity_threshold" type="xsd:double" value="5.9"/>
 
158
                                <userParam name="high_intensity_threshold" type="xsd:double" value="10.9"/>
 
159
                                <userParam name="p1" type="xsd:string" value="value1"/>
 
160
                        </processingMethod>
 
161
                        <processingMethod order="0" softwareRef="so_dp_sp_1_pm_1">
 
162
                                <cvParam cvRef="MS" accession="MS:1001486" name="data filtering" />
 
163
                                <cvParam cvRef="MS" accession="MS:1000747" name="completion time" value="1999-12-31+23:59" />
 
164
                                <userParam name="parameter: mode" type="xsd:string" value="test_mode"/>
 
165
                        </processingMethod>
 
166
                </dataProcessing>
 
167
                <dataProcessing id="dp_sp_1_bi_0">
 
168
                        <processingMethod order="0" softwareRef="so_dp_sp_1_bi_0_pm_0">
 
169
                                <cvParam cvRef="MS" accession="MS:1000778" name="charge state calculation" />
 
170
                                <cvParam cvRef="MS" accession="MS:1000747" name="completion time" value="2001-02-03+04:15" />
 
171
                                <userParam name="p3" type="xsd:string" value="value3"/>
 
172
                        </processingMethod>
 
173
                </dataProcessing>
 
174
                <dataProcessing id="dp_sp_1_bi_1">
 
175
                        <processingMethod order="0" softwareRef="so_default">
 
176
                                <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" />
 
177
                                <userParam name="warning" type="xsd:string" value="fictional processing method used to fulfill format requirements" />
 
178
                        </processingMethod>
 
179
                </dataProcessing>
 
180
        </dataProcessingList>
 
181
        <run id="ru_0" defaultInstrumentConfigurationRef="ic_0" sampleRef="sa_0" startTimeStamp="2007-06-27T15:23:45" defaultSourceFileRef="sf_ru_0">
 
182
                                <cvParam cvRef="MS" accession="MS:1000858" name="fraction identifier" value="the_best_fraction_ever" />
 
183
                <userParam name="mzml_id" type="xsd:string" value="document_id"/>
 
184
                <userParam name="int" type="xsd:integer" value="5"/>
 
185
                <userParam name="string" type="xsd:string" value="bla"/>
 
186
                <userParam name="flag" type="xsd:string" value=""/>
 
187
                <userParam name="float" type="xsd:double" value="5.11"/>
 
188
                <spectrumList count="3" defaultDataProcessingRef="dp_sp_0">
 
189
                        <spectrum id="index=0" index="0" defaultArrayLength="15" dataProcessingRef="dp_sp_0">
 
190
                                <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
 
191
                                <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
 
192
                                <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
 
193
                                <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
 
194
                                        <userParam name="maldi_spot_id" type="xsd:string" value="M0"/>
 
195
                                        <userParam name="lowest observed m/z" type="xsd:double" value="400.39"/>
 
196
                                        <userParam name="highest observed m/z" type="xsd:double" value="1795.56"/>
 
197
                                        <userParam name="lowest observed wavelength" type="xsd:double" value="500.39"/>
 
198
                                        <userParam name="highest observed wavelength" type="xsd:double" value="795.56"/>
 
199
                                        <userParam name="base peak m/z" type="xsd:double" value="445.347"/>
 
200
                                        <userParam name="base peak intensity" type="xsd:double" value="120054"/>
 
201
                                        <userParam name="total ion current" type="xsd:double" value="16675500"/>
 
202
                                        <userParam name="spectrum title" type="xsd:string" value="title"/>
 
203
                                        <userParam name="peak list scans" type="xsd:string" value="15 scans"/>
 
204
                                        <userParam name="peak list raw scans" type="xsd:string" value="16 scans"/>
 
205
                                        <userParam name="sdname" type="xsd:string" value="spectrumdescription1"/>
 
206
                                        <userParam name="scan rate" type="xsd:double" value="17.17"/>
 
207
                                        <userParam name="mass resolving power" type="xsd:string" value="4.299"/>
 
208
                                        <userParam name="mass resolution" type="xsd:string" value="4.3"/>
 
209
                                        <userParam name="elution time (seconds)" type="xsd:double" value="55.11"/>
 
210
                                        <userParam name="filter string" type="xsd:string" value="+ c NSI Full ms [ 400.00-1800.00]"/>
 
211
                                        <userParam name="preset scan configuration" type="xsd:string" value="3 abc"/>
 
212
                                        <userParam name="analyzer scan offset" type="xsd:double" value="-4.5"/>
 
213
                                        <userParam name="dwell time" type="xsd:double" value="123.45"/>
 
214
                                        <userParam name="mzname" type="xsd:string" value="mzarray1"/>
 
215
                                        <userParam name="itname" type="xsd:string" value="itarray1"/>
 
216
                                <scanList count="2">
 
217
                                        <cvParam cvRef="MS" accession="MS:1000573" name="median of spectra" />
 
218
                                        <userParam name="name" type="xsd:string" value="acquisition_list"/>
 
219
                                        <scan externalSpectrumID="4711">
 
220
                                                <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="5.1" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
 
221
                                                <userParam name="name" type="xsd:string" value="acquisition1"/>
 
222
                                                <userParam name="source_file_name" type="xsd:string" value="ac.dta"/>
 
223
                                                <userParam name="source_file_path" type="xsd:string" value="file:///F:/data/Exp02"/>
 
224
                                                <scanWindowList count="1">
 
225
                                                        <scanWindow>
 
226
                                                                <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="400" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
227
                                                                <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1800" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
228
                                                                <userParam name="name" type="xsd:string" value="scanwindow1"/>
 
229
                                                        </scanWindow>
 
230
                                                </scanWindowList>
 
231
                                        </scan>
 
232
                                        <scan externalSpectrumID="4712">
 
233
                                                <userParam name="name" type="xsd:string" value="acquisition2"/>
 
234
                                        </scan>
 
235
                                </scanList>
 
236
                                <binaryDataArrayList count="2">
 
237
                                        <binaryDataArray encodedLength="160">
 
238
                                                <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
239
                                                <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
 
240
                                                <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
 
241
                                                <binary>AAAAAAAAAAAAAAAAAADwPwAAAAAAAABAAAAAAAAACEAAAAAAAAAQQAAAAAAAABRAAAAAAAAAGEAAAAAAAAAcQAAAAAAAACBAAAAAAAAAIkAAAAAAAAAkQAAAAAAAACZAAAAAAAAAKEAAAAAAAAAqQAAAAAAAACxA</binary>
 
242
                                        </binaryDataArray>
 
243
                                        <binaryDataArray encodedLength="80">
 
244
                                                <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" unitAccession="MS:1000131" unitName="number of counts" unitCvRef="MS"/>
 
245
                                                <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" />
 
246
                                                <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
 
247
                                                <binary>AABwQQAAYEEAAFBBAABAQQAAMEEAACBBAAAQQQAAAEEAAOBAAADAQAAAoEAAAIBAAABAQAAAAEAAAIA/</binary>
 
248
                                        </binaryDataArray>
 
249
                                </binaryDataArrayList>
 
250
                        </spectrum>
 
251
                        <spectrum id="index=1" index="1" defaultArrayLength="10" sourceFileRef="sf_sp_1">
 
252
                                <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
 
253
                                <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2" />
 
254
                                <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
 
255
                                <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
 
256
                                        <userParam name="maldi_spot_id" type="xsd:string" value="M1"/>
 
257
                                        <userParam name="lowest observed m/z" type="xsd:double" value="320.39"/>
 
258
                                        <userParam name="highest observed m/z" type="xsd:double" value="1003.56"/>
 
259
                                        <userParam name="base peak m/z" type="xsd:double" value="456.347"/>
 
260
                                        <userParam name="base peak intensity" type="xsd:double" value="23433"/>
 
261
                                        <userParam name="total ion current" type="xsd:double" value="16675500"/>
 
262
                                        <userParam name="sdname" type="xsd:string" value="spectrumdescription2"/>
 
263
                                        <userParam name="mass resolution" type="xsd:string" value="4.1"/>
 
264
                                        <userParam name="filter string" type="xsd:string" value="+ c d Full ms2  445.35@cid35.00 [ 110.00-905.00]"/>
 
265
                                        <userParam name="preset scan configuration" type="xsd:string" value="4"/>
 
266
                                        <userParam name="mzname" type="xsd:string" value="mzarray2"/>
 
267
                                        <userParam name="itname" type="xsd:string" value="itarray2"/>
 
268
                                <scanList count="1">
 
269
                                        <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
 
270
                                        <scan externalSpectrumID="0">
 
271
                                                <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="5.2" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
 
272
                                                <scanWindowList count="3">
 
273
                                                        <scanWindow>
 
274
                                                                <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="100" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
275
                                                                <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="500" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
276
                                                        </scanWindow>
 
277
                                                        <scanWindow>
 
278
                                                                <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="600" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
279
                                                                <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1000" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
280
                                                        </scanWindow>
 
281
                                                        <scanWindow>
 
282
                                                                <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="1100" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
283
                                                                <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1500" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
284
                                                        </scanWindow>
 
285
                                                </scanWindowList>
 
286
                                        </scan>
 
287
                                </scanList>
 
288
      <precursorList count="2">
 
289
          <precursor>
 
290
            <isolationWindow>
 
291
              <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="5.5555" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
292
              <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="6.66" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
293
              <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="7.77" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
294
            </isolationWindow>
 
295
            <selectedIonList count="1">
 
296
              <selectedIon>
 
297
                <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="5.5555" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
298
                <cvParam cvRef="MS" accession="MS:1000041" name="charge state" value="2" />
 
299
                <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="120053" unitAccession="MS:1000132" unitName="percent of base peak" unitCvRef="MS" />
 
300
                <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="1" />
 
301
                <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3" />
 
302
                <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4" />
 
303
              </selectedIon>
 
304
            </selectedIonList>
 
305
            <activation>
 
306
              <cvParam cvRef="MS" accession="MS:1000509" name="activation energy" value="35" unitAccession="UO:0000266" unitName="electronvolt" unitCvRef="UO" />
 
307
            <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" />
 
308
            <cvParam cvRef="MS" accession="MS:1000134" name="plasma desorption" />
 
309
                                                <userParam name="source_file_name" type="xsd:string" value="pr.dta"/>
 
310
                                                <userParam name="source_file_path" type="xsd:string" value="file:///F:/data/Exp03"/>
 
311
                                                <userParam name="iwname" type="xsd:string" value="isolationwindow1"/>
 
312
                                                <userParam name="siname" type="xsd:string" value="selectedion1"/>
 
313
                                                <userParam name="buffer gas" type="xsd:string" value="Krypton"/>
 
314
                                                <userParam name="collision gas" type="xsd:string" value="Argon"/>
 
315
                                                <userParam name="collision energy" type="xsd:string" value="4.2"/>
 
316
                                                <userParam name="acname" type="xsd:string" value="activation1"/>
 
317
          </activation>
 
318
        </precursor>
 
319
          <precursor>
 
320
            <isolationWindow>
 
321
              <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="15.55" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
322
              <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="16.66" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
323
              <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="17.77" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
324
            </isolationWindow>
 
325
            <selectedIonList count="1">
 
326
              <selectedIon>
 
327
                <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="15.55" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
328
                <cvParam cvRef="MS" accession="MS:1000041" name="charge state" value="0" />
 
329
                <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="0" unitAccession="MS:1000132" unitName="percent of base peak" unitCvRef="MS" />
 
330
              </selectedIon>
 
331
            </selectedIonList>
 
332
            <activation>
 
333
              <cvParam cvRef="MS" accession="MS:1000509" name="activation energy" value="36" unitAccession="UO:0000266" unitName="electronvolt" unitCvRef="UO" />
 
334
            <cvParam cvRef="MS" accession="MS:1000598" name="electron transfer dissociation" />
 
335
                                                <userParam name="iwname" type="xsd:string" value="isolationwindow2"/>
 
336
                                                <userParam name="acname" type="xsd:string" value="activation2"/>
 
337
          </activation>
 
338
        </precursor>
 
339
      </precursorList>
 
340
                                <binaryDataArrayList count="4">
 
341
                                        <binaryDataArray encodedLength="108">
 
342
                                                <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
343
                                                <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
 
344
                                                <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
 
345
                                                <binary>AAAAAAAAAAAAAAAAAAAAQAAAAAAAABBAAAAAAAAAGEAAAAAAAAAgQAAAAAAAACRAAAAAAAAAKEAAAAAAAAAsQAAAAAAAADBAAAAAAAAAMkA=</binary>
 
346
                                        </binaryDataArray>
 
347
                                        <binaryDataArray encodedLength="56">
 
348
                                                <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" unitAccession="MS:1000131" unitName="number of counts" unitCvRef="MS"/>
 
349
                                                <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" />
 
350
                                                <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
 
351
                                                <binary>AACgQQAAkEEAAIBBAABgQQAAQEEAACBBAAAAQQAAwEAAAIBAAAAAQA==</binary>
 
352
                                        </binaryDataArray>
 
353
                                        <binaryDataArray arrayLength="10" encodedLength="108" dataProcessingRef="dp_sp_1_bi_0">
 
354
                                                <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
 
355
                                                <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
 
356
                                                <cvParam cvRef="MS" accession="MS:1000517" name="signal to noise array" />
 
357
                                                <userParam name="name" type="xsd:string" value="binaryDataArray_sn"/>
 
358
                                                <userParam name="name2" type="xsd:string" value="binaryDataArray_sn2"/>
 
359
                                                <binary>AAAAAAAANEAAAAAAAAAyQAAAAAAAADBAAAAAAAAALEAAAAAAAAAoQAAAAAAAACRAAAAAAAAAIEAAAAAAAAAYQAAAAAAAABBAAAAAAAAAAEA=</binary>
 
360
                                        </binaryDataArray>
 
361
                                        <binaryDataArray arrayLength="10" encodedLength="108" >
 
362
                                                <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
 
363
                                                <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
 
364
                                                <cvParam cvRef="MS" accession="MS:1000786" name="non-standard data array" value="user-defined name" />
 
365
                                                <userParam name="name" type="xsd:string" value="binaryDataArray_c"/>
 
366
                                                <binary>AAAAAAAANEAAAAAAAAAyQAAAAAAAADBAAAAAAAAALEAAAAAAAAAoQAAAAAAAACRAAAAAAAAAIEAAAAAAAAAYQAAAAAAAABBAAAAAAAAAAEA=</binary>
 
367
                                        </binaryDataArray>
 
368
                                </binaryDataArrayList>
 
369
                        </spectrum>
 
370
                        <spectrum id="index=2" index="2" defaultArrayLength="15" dataProcessingRef="dp_sp_1">
 
371
                                <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
 
372
                                <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
 
373
                                <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
 
374
                                <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
 
375
                                        <userParam name="maldi_spot_id" type="xsd:string" value="M2"/>
 
376
                                        <userParam name="lowest observed m/z" type="xsd:double" value="400.39"/>
 
377
                                        <userParam name="highest observed m/z" type="xsd:double" value="1795.56"/>
 
378
                                        <userParam name="base peak m/z" type="xsd:double" value="445.347"/>
 
379
                                        <userParam name="base peak intensity" type="xsd:double" value="120054"/>
 
380
                                        <userParam name="total ion current" type="xsd:double" value="16675500"/>
 
381
                                        <userParam name="sdname" type="xsd:string" value="spectrumdescription3"/>
 
382
                                        <userParam name="filter string" type="xsd:string" value="+ c NSI Full ms [ 400.00-1800.00]"/>
 
383
                                        <userParam name="preset scan configuration" type="xsd:string" value="3"/>
 
384
                                <scanList count="2">
 
385
                                        <cvParam cvRef="MS" accession="MS:1000573" name="median of spectra" />
 
386
                                        <userParam name="name" type="xsd:string" value="acquisition_list"/>
 
387
                                        <scan externalSpectrumID="4711">
 
388
                                                <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="5.3" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
 
389
                                                <userParam name="name" type="xsd:string" value="acquisition1"/>
 
390
                                                <scanWindowList count="1">
 
391
                                                        <scanWindow>
 
392
                                                                <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="400" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
393
                                                                <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1800" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
394
                                                        </scanWindow>
 
395
                                                </scanWindowList>
 
396
                                        </scan>
 
397
                                        <scan externalSpectrumID="4712">
 
398
                                                <userParam name="name" type="xsd:string" value="acquisition2"/>
 
399
                                        </scan>
 
400
                                </scanList>
 
401
        <productList count="2">
 
402
          <product>
 
403
            <isolationWindow>
 
404
              <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="18.88" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
405
              <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
406
              <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="2" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
407
                                                        <userParam name="iwname" type="xsd:string" value="isolationwindow3"/>
 
408
            </isolationWindow>
 
409
        </product>
 
410
          <product>
 
411
            <isolationWindow>
 
412
              <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="19.99" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
413
              <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="3" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
414
              <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="4" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
415
                                                        <userParam name="iwname" type="xsd:string" value="isolationwindow4"/>
 
416
            </isolationWindow>
 
417
        </product>
 
418
      </productList>
 
419
                                <binaryDataArrayList count="2">
 
420
                                        <binaryDataArray encodedLength="160">
 
421
                                                <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
 
422
                                                <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
 
423
                                                <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
 
424
                                                <binary>AAAAAAAAAAAAAAAAAADwPwAAAAAAAABAAAAAAAAACEAAAAAAAAAQQAAAAAAAABRAAAAAAAAAGEAAAAAAAAAcQAAAAAAAACBAAAAAAAAAIkAAAAAAAAAkQAAAAAAAACZAAAAAAAAAKEAAAAAAAAAqQAAAAAAAACxA</binary>
 
425
                                        </binaryDataArray>
 
426
                                        <binaryDataArray encodedLength="80">
 
427
                                                <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" unitAccession="MS:1000131" unitName="number of counts" unitCvRef="MS"/>
 
428
                                                <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" />
 
429
                                                <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
 
430
                                                <binary>AABwQQAAYEEAAFBBAABAQQAAMEEAACBBAAAQQQAAAEEAAOBAAADAQAAAoEAAAIBAAABAQAAAAEAAAIA/</binary>
 
431
                                        </binaryDataArray>
 
432
                                </binaryDataArrayList>
 
433
                        </spectrum>
 
434
                </spectrumList>
 
435
        </run>
 
436
</mzML>
 
 
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