Mercurial > repos > galaxyp > maldi_quant_peak_detection
comparison test-data/peak_detection5.imzml @ 7:4bd085117204 draft default tip
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/MALDIquant commit f1e1cd260ef2884d0ba12e2b614df3c72d0934dc
| author | galaxyp |
|---|---|
| date | Sat, 04 Mar 2023 19:13:03 +0000 |
| parents | |
| children |
comparison
equal
deleted
inserted
replaced
| 6:8431b33e6989 | 7:4bd085117204 |
|---|---|
| 1 <?xml version="1.0" encoding="utf-8"?> | |
| 2 <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" id="out" version="1.1.0"> | |
| 3 <cvList count="2"> | |
| 4 <cv id="MS" fullName="Proteomics Standards Initiative Mass Spectrometry Ontology" version="3.44.0" URI="http://psidev.cvs.sourceforge.net/*checkout*/psidev/psi/psi-ms/mzML/controlledVocabulary/psi-ms.obo"/> | |
| 5 <cv id="UO" fullName="Unit Ontology" version="12:10:2012" URI="http://obo.cvs.sourceforge.net/*checkout*/obo/obo/ontology/phenotype/unit.obo"/> | |
| 6 <cv id="IMS" fullName="Imaging MS Ontology" version="0.9.1" URI="http://www.maldi-msi.org/download/imzml/imagingMS.obo"/> | |
| 7 </cvList> | |
| 8 <fileDescription> | |
| 9 <fileContent> | |
| 10 <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum"/> | |
| 11 <cvParam cvRef="IMS" accession="IMS:1000080" name="universally unique identifier" value="{61260965-d7bf-4d32-bb70-46172bff6917}"/> | |
| 12 <cvParam cvRef="IMS" accession="IMS:1000091" name="ibd SHA-1" value="68ad24ff78b7c9e8fc926eaf891199cfd7cb7f77"/> | |
| 13 <cvParam cvRef="IMS" accession="IMS:1000031" name="processed"/> | |
| 14 <userParam name="MALDIquantForeign" value="MALDIquant object(s) exported to mzML"/> | |
| 15 </fileContent> | |
| 16 <sourceFileList count="1"> | |
| 17 <sourceFile id="SF1" location="/tmp/tmpequnedvd/job_working_directory/000/8/working" name="infile.imzML"> | |
| 18 <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="f213bd84091f284d1983d1b72dc480a008619b43"/> | |
| 19 </sourceFile> | |
| 20 </sourceFileList> | |
| 21 </fileDescription> | |
| 22 <softwareList count="1"> | |
| 23 <software id="MALDIquantForeign" version="0.13"/> | |
| 24 </softwareList> | |
| 25 <referenceableParamGroupList count="2"> | |
| 26 <referenceableParamGroup id="mzArray"> | |
| 27 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/> | |
| 28 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" value=""/> | |
| 29 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" value=""/> | |
| 30 <cvParam cvRef="IMS" accession="IMS:1000101" name="external data" value="true"/> | |
| 31 </referenceableParamGroup> | |
| 32 <referenceableParamGroup id="intensityArray"> | |
| 33 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of counts"/> | |
| 34 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" value=""/> | |
| 35 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" value=""/> | |
| 36 <cvParam cvRef="IMS" accession="IMS:1000101" name="external data" value="true"/> | |
| 37 </referenceableParamGroup> | |
| 38 </referenceableParamGroupList> | |
| 39 <scanSettingsList count="1"> | |
| 40 <scanSettings id="scansetting1"> | |
| 41 <cvParam cvRef="IMS" accession="IMS:1000042" name="max count of pixel x" value="3"/> | |
| 42 <cvParam cvRef="IMS" accession="IMS:1000043" name="max count of pixel y" value="3"/> | |
| 43 <cvParam cvRef="IMS" accession="IMS:1000044" name="max dimension x" value="300" unitCvRef="UO" unitAccession="UO:0000017" unitName="micrometer"/> | |
| 44 <cvParam cvRef="IMS" accession="IMS:1000045" name="max dimension y" value="300" unitCvRef="UO" unitAccession="UO:0000017" unitName="micrometer"/> | |
| 45 <cvParam cvRef="IMS" accession="IMS:1000046" name="pixel size x" value="100" unitCvRef="UO" unitAccession="UO:0000017" unitName="micrometer"/> | |
| 46 <cvParam cvRef="IMS" accession="IMS:1000047" name="pixel size y" value="100" unitCvRef="UO" unitAccession="UO:0000017" unitName="micrometer"/> | |
| 47 </scanSettings> | |
| 48 </scanSettingsList> | |
| 49 <instrumentConfigurationList count="1"> | |
| 50 <instrumentConfiguration id="IC0"/> | |
| 51 </instrumentConfigurationList> | |
| 52 <dataProcessingList count="1"> | |
| 53 <dataProcessing id="export"> | |
| 54 <processingMethod order="1" softwareRef="MALDIquantForeign"> | |
| 55 <userParam name="MALDIquant object(s) exported to mzML" value=""/> | |
| 56 </processingMethod> | |
| 57 </dataProcessing> | |
| 58 </dataProcessingList> | |
| 59 <run id="run0" defaultInstrumentConfigurationRef="IC0"> | |
| 60 <spectrumList count="3" defaultDataProcessingRef="export"> | |
| 61 <spectrum index="0" id="Spectrum=3" defaultArrayLength="36"> | |
| 62 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="0"/> | |
| 63 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum"/> | |
| 64 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="1199.57592773438" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/> | |
| 65 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1354.47863769531" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/> | |
| 66 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum"/> | |
| 67 <scanList count="1"> | |
| 68 <scan> | |
| 69 <cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="3"/> | |
| 70 <cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="1"/> | |
| 71 </scan> | |
| 72 </scanList> | |
| 73 <binaryDataArrayList count="2"> | |
| 74 <binaryDataArray encodedLength="0"> | |
| 75 <referenceableParamGroupRef ref="mzArray"/> | |
| 76 <cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="16"/> | |
| 77 <cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="36"/> | |
| 78 <cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="288"/> | |
| 79 <binary/> | |
| 80 </binaryDataArray> | |
| 81 <binaryDataArray encodedLength="0"> | |
| 82 <referenceableParamGroupRef ref="intensityArray"/> | |
| 83 <cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="304"/> | |
| 84 <cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="36"/> | |
| 85 <cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="288"/> | |
| 86 <binary/> | |
| 87 </binaryDataArray> | |
| 88 </binaryDataArrayList> | |
| 89 </spectrum> | |
| 90 <spectrum index="1" id="Spectrum=5" defaultArrayLength="36"> | |
| 91 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="0"/> | |
| 92 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum"/> | |
| 93 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="1199.57592773438" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/> | |
| 94 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1354.47863769531" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/> | |
| 95 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum"/> | |
| 96 <scanList count="1"> | |
| 97 <scan> | |
| 98 <cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="2"/> | |
| 99 <cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="2"/> | |
| 100 </scan> | |
| 101 </scanList> | |
| 102 <binaryDataArrayList count="2"> | |
| 103 <binaryDataArray encodedLength="0"> | |
| 104 <referenceableParamGroupRef ref="mzArray"/> | |
| 105 <cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="592"/> | |
| 106 <cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="36"/> | |
| 107 <cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="288"/> | |
| 108 <binary/> | |
| 109 </binaryDataArray> | |
| 110 <binaryDataArray encodedLength="0"> | |
| 111 <referenceableParamGroupRef ref="intensityArray"/> | |
| 112 <cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="880"/> | |
| 113 <cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="36"/> | |
| 114 <cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="288"/> | |
| 115 <binary/> | |
| 116 </binaryDataArray> | |
| 117 </binaryDataArrayList> | |
| 118 </spectrum> | |
| 119 <spectrum index="2" id="Spectrum=7" defaultArrayLength="36"> | |
| 120 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="0"/> | |
| 121 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum"/> | |
| 122 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="1199.57592773438" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/> | |
| 123 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1354.47863769531" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/> | |
| 124 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum"/> | |
| 125 <scanList count="1"> | |
| 126 <scan> | |
| 127 <cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="1"/> | |
| 128 <cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="3"/> | |
| 129 </scan> | |
| 130 </scanList> | |
| 131 <binaryDataArrayList count="2"> | |
| 132 <binaryDataArray encodedLength="0"> | |
| 133 <referenceableParamGroupRef ref="mzArray"/> | |
| 134 <cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="1168"/> | |
| 135 <cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="36"/> | |
| 136 <cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="288"/> | |
| 137 <binary/> | |
| 138 </binaryDataArray> | |
| 139 <binaryDataArray encodedLength="0"> | |
| 140 <referenceableParamGroupRef ref="intensityArray"/> | |
| 141 <cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="1456"/> | |
| 142 <cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="36"/> | |
| 143 <cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="288"/> | |
| 144 <binary/> | |
| 145 </binaryDataArray> | |
| 146 </binaryDataArrayList> | |
| 147 </spectrum> | |
| 148 </spectrumList> | |
| 149 </run> | |
| 150 </mzML> |
