pyopenms 2.3.0__zip
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/License.txt +52 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/__init__.py +54 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/__init__.pyc +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/all_modules.py +4 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/all_modules.pyc +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/docompile.py +35 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/docompile.pyc +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/libOpenMS.so +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/libOpenSwathAlgo.so +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/libSuperHirn.so +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/pyopenms_1.so +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/pyopenms_2.so +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/pyopenms_3.so +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/pyopenms_4.so +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/python_extras.py +22 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/python_extras.pyc +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/qt_version_info.py +2 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/qt_version_info.pyc +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/Elements.xml +1221 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/Enzymes.xml +269 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/HMDBMappingFile.tsv +10104 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModel.scale +6 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModel.svm +626 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModelNoised2.scale +4 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModelNoised2.svm +559 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModelNoised5.scale +4 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModelNoised5.svm +1010 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MissedCleavage.model +229 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/NegativeAdducts.tsv +15 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/OMSSA_modification_mapping +158 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/PSI-MOD.obo +23804 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/PositiveAdducts.tsv +33 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/Residues.xml +470 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/XLMOD.obo +623 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/XTandem_default_input.xml +181 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/unimod.xml +38885 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/brenda.obo +22923 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/goslim_goa.obo +823 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/psi-ms.obo +17899 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/psi-mzdata.obo +2920 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/qc-cv.obo +471 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/quality.obo +12581 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/unimod.obo +13214 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/unit.obo +2585 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/DESKTOP/TOPPAS.appdata.xml +33 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/DESKTOP/TOPPAS.desktop +10 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/DESKTOP/TOPPView.appdata.xml +35 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/DESKTOP/TOPPView.desktop +11 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/DESKTOP/readme.txt +5 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/GUISTYLE/qtStyleSheet.qss +9 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/IDPool/IDPool.txt +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/IDPool/README +29 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/MAPPING/TraML-mapping.xml +171 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/MAPPING/ms-mapping.xml +187 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/MAPPING/mzIdentML-mapping.xml +221 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/MAPPING/mzdata-mapping.xml +158 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/PIP/codebooks.data +2 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/PIP/linearMapping.data +2 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/CTD_0_3.xsd +168 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_0.xsd +376 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_1.xsd +381 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_2.xsd +202 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_3.xsd +686 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_4.xsd +694 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_5.xsd +698 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_6.xsd +613 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_7.xsd +618 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/CvMapping.xsd +157 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_0.xsd +737 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_1.xsd +770 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_2.xsd +770 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_3.xsd +660 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_4.xsd +660 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_5.xsd +670 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_6.xsd +674 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_7.xsd +679 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_8.xsd +587 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_9.xsd +592 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FuGElightv1.0.0.xsd +1118 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_0.xsd +340 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_1.xsd +345 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_2.xsd +354 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_3.xsd +367 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_4.xsd +371 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_5.xsd +371 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_0.xsd +91 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_1.xsd +101 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_2.xsd +168 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_3.xsd +173 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_4.xsd +149 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_6_2.xsd +99 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ToolDescriptor_1_0.xsd +232 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/TraML0.9.3.xsd +552 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/TraML1.0.0.xsd +622 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/TrafoXML_1_0.xsd +102 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/general_types_1.0.xsd +17 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzData_1_05.xsd +631 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzIdentML1.0.0.xsd +1339 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzIdentML1.1.0.xsd +1845 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzML_1_00.xsd +921 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzML_1_10.xsd +1119 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzML_idx_1_00.xsd +992 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzML_idx_1_10.xsd +1201 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzQCML_0_0_5.xsd +220 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzQuantML_1_0_0-rc2.xsd +1557 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzXML_2_1.xsd +1 -1
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzXML_3.1.xsd +1 -1
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzXML_3.1_mod.xsd +686 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzXML_idx_3.1.xsd +60 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/pepXML_v114.xsd +1448 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/protXML_v6.xsd +935 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/qcML_0.0.7.xsd +235 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/separation_technique_1.0.xsd +10 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/xQuest_1_0.xsd +210 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/InternalCalibration_Models.R +40 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/InternalCalibration_Residuals.R +57 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_acc.R +28 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_idmap.R +39 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_inj.R +27 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_rt_acc.R +31 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_setid.R +27 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_tic.R +23 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/Rscript_generic_example.R +88 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/mzTab2tsv_PEP.R +47 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/mzTab2tsv_PRT.R +104 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/mzTab2tsv_PSM.R +80 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/plot_trafo.R +126 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/THIRDPARTY/ReadMe.txt +9 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Hardkloer.ttd +109 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/LINUX/TPP_ProteinProphet.ttd +46 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/LINUX/mail.ttd +22 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/MSGFtoPercolator.ttd +30 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/MascotPercolator.ttd +42 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Percolator.ttd +29 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/QCExporter.ttd +51 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/RawDirConvert.ttd +25 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/ReadMe.txt +72 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_generic.ttd +42 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_mzTab2tsv_PEP.ttd +26 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_mzTab2tsv_PRT.ttd +26 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_mzTab2tsv_PSM.ttd +26 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_acc.ttd +30 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_idmap.ttd +33 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_rt_acc.ttd +30 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_setid.ttd +30 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_tic.ttd +30 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_trapfill.ttd +30 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/TEMPLATE.ttd_ +52 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/TPP_RefreshParser.ttd +28 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/WINDOWS/TPP_ProteinProphet.ttd +46 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/XTandemToPercolator.ttd +30 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/msconvert.ttd +25 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/XSL/APML_to_CSV.xsl +43 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/XSL/ConsensusXML.xsl +76 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/XSL/IdXML.xsl +210 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/XSL/QcML_report_sheet.xsl +548 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/XSL/index.html +97 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/sysinfo.py +47 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/sysinfo.pyc +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/version.py +1 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/version.pyc +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms-2.3.0-py2.7.egg-info/PKG-INFO +108 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms-2.3.0-py2.7.egg-info/SOURCES.txt +158 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms-2.3.0-py2.7.egg-info/dependency_links.txt +1 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms-2.3.0-py2.7.egg-info/not-zip-safe +1 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms-2.3.0-py2.7.egg-info/top_level.txt +5 -0
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<?xml version="1.0" encoding="UTF-8"?>
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<!-- Mit XMLSpy v2007 sp1 bearbeitet (http://www.altova.com) von Oliver Kohlbacher (Universität Tübingen) -->
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<!-- edited with XMLSpy v2008 rel. 2 sp2 (http://www.altova.com) by Chris Bielow (FU Berlin) -->
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<!-- edited with gvim by Clemens Groepl, 2009-10-07. -->
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<!-- edited with notepad++ by Chris Bielow, 2011-10-27. -->
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<xs:schema xmlns:xs="http://www.w3.org/2001/XMLSchema">
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<xs:element name="consensusXML">
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<xs:annotation>
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<xs:documentation> Schema for a result of a multiple LC-MS map alignment. </xs:documentation>
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</xs:annotation>
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<xs:complexType>
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<xs:element name="userParam" type="userParam" minOccurs="0" maxOccurs="unbounded">
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<xs:annotation>
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<xs:documentation>user parameters</xs:documentation>
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<xs:element name="dataProcessing" minOccurs="0" maxOccurs="unbounded">
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<xs:annotation>
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<xs:documentation>data processing applied to this file</xs:documentation>
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<xs:complexType>
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<xs:element name="software">
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<xs:annotation>
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<xs:documentation>processing software</xs:documentation>
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<xs:complexType>
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<xs:attribute name="name" type="xs:string" use="required">
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<xs:annotation>
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<xs:documentation>software name</xs:documentation>
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</xs:attribute>
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<xs:attribute name="version" type="xs:string" use="required">
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<xs:annotation>
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<xs:documentation>software version</xs:documentation>
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</xs:attribute>
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<xs:element name="processingAction" minOccurs="0" maxOccurs="unbounded">
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<xs:annotation>
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<xs:documentation>processing actions applied by the software</xs:documentation>
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<xs:complexType>
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<xs:attribute name="name" type="xs:string" use="required">
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<xs:annotation>
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<xs:documentation>action name</xs:documentation>
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</xs:complexType>
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</xs:element>
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<xs:element name="userParam" minOccurs="0" maxOccurs="unbounded">
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<xs:annotation>
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<xs:documentation>user parameters</xs:documentation>
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</xs:annotation>
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<xs:complexType>
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<xs:complexContent>
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<xs:extension base="userParam"/>
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</xs:complexContent>
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</xs:complexType>
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<xs:attribute name="completion_time" type="xs:dateTime" use="required">
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<xs:annotation>
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<xs:documentation>end time of processing</xs:documentation>
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</xs:complexType>
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<xs:element name="IdentificationRun" minOccurs="0" maxOccurs="unbounded">
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<xs:annotation>
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<xs:documentation>Identification runs mapped to this consensus feature map.</xs:documentation>
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<xs:complexType>
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<xs:element name="SearchParameters">
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<xs:annotation>
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<xs:documentation>Search parameters that can be used for several identification runs</xs:documentation>
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<xs:complexType>
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<xs:element name="FixedModification" minOccurs="0" maxOccurs="unbounded">
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<xs:annotation>
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<xs:documentation>fixed modifications for the search</xs:documentation>
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<xs:complexType>
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<xs:sequence minOccurs="0">
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<xs:element name="userParam" type="userParam" minOccurs="0" maxOccurs="unbounded"/>
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<xs:attribute name="name" use="required">
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<xs:annotation>
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<xs:documentation>modification name</xs:documentation>
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<xs:simpleType>
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<xs:restriction base="xs:string">
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<xs:element name="VariableModification" minOccurs="0" maxOccurs="unbounded">
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<xs:annotation>
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<xs:documentation>variable modifications for the search</xs:documentation>
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</xs:annotation>
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<xs:complexType>
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<xs:sequence minOccurs="0">
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<xs:element name="userParam" type="userParam" minOccurs="0" maxOccurs="unbounded"/>
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</xs:sequence>
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<xs:attribute name="name" use="required">
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<xs:annotation>
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<xs:documentation>modification name</xs:documentation>
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</xs:annotation>
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<xs:simpleType>
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<xs:restriction base="xs:string">
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<xs:minLength value="1"/>
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</xs:simpleType>
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</xs:attribute>
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</xs:complexType>
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</xs:element>
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<xs:element name="userParam" type="userParam" minOccurs="0" maxOccurs="unbounded"/>
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</xs:sequence>
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<xs:attribute name="db" type="xs:string" use="required">
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<xs:annotation>
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<xs:documentation>protein sequence database name</xs:documentation>
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<xs:attribute name="db_version" type="xs:string" use="required">
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<xs:annotation>
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<xs:documentation>database version</xs:documentation>
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<xs:attribute name="taxonomy" type="xs:string">
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<xs:annotation>
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<xs:documentation>taxonomy restriction</xs:documentation>
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</xs:annotation>
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</xs:attribute>
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<xs:attribute name="mass_type" type="MassType" use="required">
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<xs:annotation>
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<xs:documentation>mass type ('monoisotopic' or 'average')</xs:documentation>
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</xs:annotation>
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</xs:attribute>
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<xs:attribute name="charges" type="xs:string" use="required">
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<xs:annotation>
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<xs:documentation>searched for charges. If you want these charges to be automatically processed use the following format: '+1,+2,+3'</xs:documentation>
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</xs:annotation>
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</xs:attribute>
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<xs:attribute name="enzyme" type="DigestionEnzyme">
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<xs:annotation>
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<xs:documentation>digestion enzyme ('trypsin','pepsin_a','chymotrypsin','proteinase_k','no_enzyme' or 'unknown_enzyme')</xs:documentation>
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</xs:annotation>
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</xs:attribute>
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<xs:attribute name="missed_cleavages" type="xs:unsignedInt">
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<xs:annotation>
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<xs:documentation>number of allowed missed cleavages</xs:documentation>
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</xs:annotation>
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<xs:attribute name="precursor_peak_tolerance" type="xs:float" use="required">
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<xs:annotation>
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<xs:documentation>peak mass tolerance of precursor peak in Da</xs:documentation>
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</xs:annotation>
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</xs:attribute>
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<xs:attribute name="peak_mass_tolerance" type="xs:float" use="required">
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<xs:annotation>
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<xs:documentation>peak mass tolerance of fragment ions in Da</xs:documentation>
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</xs:annotation>
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</xs:attribute>
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</xs:complexType>
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</xs:element>
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<xs:element name="ProteinIdentification" minOccurs="0">
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<xs:annotation>
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<xs:documentation>Collection of identified proteins</xs:documentation>
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<xs:complexType>
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<xs:sequence>
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<xs:element name="ProteinHit" minOccurs="0" maxOccurs="unbounded">
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<xs:annotation>
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<xs:documentation>Single reported protein hit</xs:documentation>
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<xs:complexType>
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<xs:sequence minOccurs="0">
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<xs:element name="userParam" type="userParam" minOccurs="0" maxOccurs="unbounded"/>
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</xs:sequence>
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<xs:attribute name="id" type="xs:ID" use="required">
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<xs:annotation>
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<xs:documentation>'id' of the protein hit. Is referenced by peptide hits.</xs:documentation>
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<xs:attribute name="accession" type="xs:string" use="required">
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<xs:annotation>
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<xs:documentation>accession of the protein in the used database.</xs:documentation>
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<xs:attribute name="score" type="xs:float" use="required">
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<xs:annotation>
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<xs:documentation>score of the hit</xs:documentation>
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<xs:attribute name="sequence" type="xs:string">
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<xs:annotation>
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<xs:documentation>protein sequences, if known</xs:documentation>
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<xs:element name="userParam" type="userParam" minOccurs="0" maxOccurs="unbounded"/>
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<xs:attribute name="score_type" type="xs:string" use="required">
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<xs:annotation>
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<xs:documentation>score type of the protein hits, e.g. MOWSE, p-value,...</xs:documentation>
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</xs:annotation>
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<xs:attribute name="higher_score_better" type="xs:boolean" use="required">
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<xs:annotation>
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<xs:documentation>if a higher score is better ('true' or false')</xs:documentation>
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<xs:attribute name="significance_threshold" type="xs:float">
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<xs:annotation>
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<xs:documentation>significance threshold as calculated by the search engine</xs:documentation>
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</xs:annotation>
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</xs:attribute>
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<xs:attribute name="id" type="xs:ID" use="required">
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<xs:annotation>
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<xs:documentation>Identifier of the identification run, which is referenced by the peptide identifications in order to relate them to the run.</xs:documentation>
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</xs:annotation>
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</xs:attribute>
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<xs:attribute name="search_engine" type="xs:string" use="required">
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<xs:annotation>
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<xs:documentation>search engine name, e.g. 'Mascot', 'Sequest'</xs:documentation>
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</xs:annotation>
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</xs:attribute>
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<xs:attribute name="search_engine_version" type="xs:string" use="required">
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<xs:annotation>
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<xs:documentation>search engine version</xs:documentation>
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</xs:annotation>
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</xs:attribute>
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<xs:attribute name="date" type="xs:dateTime" use="required">
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<xs:annotation>
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<xs:documentation>date, when the search was performed (Format: yyyy-mm-ddThh:mm:ss)</xs:documentation>
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</xs:annotation>
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</xs:attribute>
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</xs:complexType>
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</xs:element>
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<xs:element name="UnassignedPeptideIdentification" minOccurs="0" maxOccurs="unbounded">
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<xs:annotation>
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<xs:documentation>Peptide identifications not mapped to any consensus feature.</xs:documentation>
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</xs:annotation>
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<xs:complexType>
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<xs:sequence>
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<xs:element name="PeptideHit" minOccurs="0" maxOccurs="unbounded">
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<xs:annotation>
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<xs:documentation>single reported peptide hit</xs:documentation>
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</xs:annotation>
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<xs:complexType>
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<xs:sequence minOccurs="0">
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<xs:element name="userParam" type="userParam" minOccurs="0" maxOccurs="unbounded"/>
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</xs:sequence>
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<xs:attribute name="sequence" type="xs:string" use="required">
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<xs:annotation>
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<xs:documentation>peptide sequence</xs:documentation>
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</xs:annotation>
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<xs:attribute name="charge" type="xs:integer" use="required">
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<xs:annotation>
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<xs:documentation>charge of the peptide</xs:documentation>
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<xs:attribute name="score" type="xs:float" use="required">
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<xs:annotation>
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<xs:documentation>score of the hit</xs:documentation>
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</xs:attribute>
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|
279
|
+
<xs:attribute name="aa_before">
|
|
280
|
+
<xs:annotation>
|
|
281
|
+
<xs:documentation>amino acid before the sequence (for DB search)</xs:documentation>
|
|
282
|
+
</xs:annotation>
|
|
283
|
+
<xs:simpleType>
|
|
284
|
+
<xs:restriction base="xs:string">
|
|
285
|
+
<xs:minLength value="0"/>
|
|
286
|
+
<xs:maxLength value="1"/>
|
|
287
|
+
</xs:restriction>
|
|
288
|
+
</xs:simpleType>
|
|
289
|
+
</xs:attribute>
|
|
290
|
+
<xs:attribute name="aa_after">
|
|
291
|
+
<xs:annotation>
|
|
292
|
+
<xs:documentation>amino acid after the sequence (for DB search)</xs:documentation>
|
|
293
|
+
</xs:annotation>
|
|
294
|
+
<xs:simpleType>
|
|
295
|
+
<xs:restriction base="xs:string">
|
|
296
|
+
<xs:minLength value="0"/>
|
|
297
|
+
<xs:maxLength value="1"/>
|
|
298
|
+
</xs:restriction>
|
|
299
|
+
</xs:simpleType>
|
|
300
|
+
</xs:attribute>
|
|
301
|
+
<xs:attribute name="protein_refs" type="xs:IDREFS">
|
|
302
|
+
<xs:annotation>
|
|
303
|
+
<xs:documentation>References to proteins hits, this peptide occurs in.</xs:documentation>
|
|
304
|
+
</xs:annotation>
|
|
305
|
+
</xs:attribute>
|
|
306
|
+
</xs:complexType>
|
|
307
|
+
</xs:element>
|
|
308
|
+
<xs:element name="userParam" type="userParam" minOccurs="0" maxOccurs="unbounded"/>
|
|
309
|
+
</xs:sequence>
|
|
310
|
+
<xs:attribute name="identification_run_ref" type="xs:IDREF" use="required">
|
|
311
|
+
<xs:annotation>
|
|
312
|
+
<xs:documentation>Reference to the corresponding identification run.</xs:documentation>
|
|
313
|
+
</xs:annotation>
|
|
314
|
+
</xs:attribute>
|
|
315
|
+
<xs:attribute name="score_type" type="xs:string" use="required">
|
|
316
|
+
<xs:annotation>
|
|
317
|
+
<xs:documentation>score type of the protein hits, e.g. MOWSE, p-value,...</xs:documentation>
|
|
318
|
+
</xs:annotation>
|
|
319
|
+
</xs:attribute>
|
|
320
|
+
<xs:attribute name="higher_score_better" type="xs:boolean" use="required">
|
|
321
|
+
<xs:annotation>
|
|
322
|
+
<xs:documentation>if a higher score is better ('true' or false')</xs:documentation>
|
|
323
|
+
</xs:annotation>
|
|
324
|
+
</xs:attribute>
|
|
325
|
+
<xs:attribute name="significance_threshold" type="xs:float">
|
|
326
|
+
<xs:annotation>
|
|
327
|
+
<xs:documentation>significance threshold as calculated by the search engine</xs:documentation>
|
|
328
|
+
</xs:annotation>
|
|
329
|
+
</xs:attribute>
|
|
330
|
+
<xs:attribute name="spectrum_reference" type="xs:unsignedInt">
|
|
331
|
+
<xs:annotation>
|
|
332
|
+
<xs:documentation>Integer reference number of the identified spectrum (or feature)</xs:documentation>
|
|
333
|
+
</xs:annotation>
|
|
334
|
+
</xs:attribute>
|
|
335
|
+
<xs:attribute name="RT" type="xs:float">
|
|
336
|
+
<xs:annotation>
|
|
337
|
+
<xs:documentation>Precursor peak retention time of the identified spectrum</xs:documentation>
|
|
338
|
+
</xs:annotation>
|
|
339
|
+
</xs:attribute>
|
|
340
|
+
<xs:attribute name="MZ" type="xs:float">
|
|
341
|
+
<xs:annotation>
|
|
342
|
+
<xs:documentation>Precursor peak mass-to-charge ratio of the identified spectrum</xs:documentation>
|
|
343
|
+
</xs:annotation>
|
|
344
|
+
</xs:attribute>
|
|
345
|
+
</xs:complexType>
|
|
346
|
+
</xs:element>
|
|
347
|
+
<xs:element ref="mapList"/>
|
|
348
|
+
<xs:element ref="consensusElementList"/>
|
|
349
|
+
</xs:sequence>
|
|
350
|
+
<xs:attribute name="version" type="xs:float">
|
|
351
|
+
<xs:annotation>
|
|
352
|
+
<xs:documentation>Schema version, e.g. '1.1'. If it is missing, version 1.0 is assumed.</xs:documentation>
|
|
353
|
+
</xs:annotation>
|
|
354
|
+
</xs:attribute>
|
|
355
|
+
<xs:attribute name="experiment_type">
|
|
356
|
+
<xs:annotation>
|
|
357
|
+
<xs:documentation>Type of experiment, e.g. icat, label-free</xs:documentation>
|
|
358
|
+
</xs:annotation>
|
|
359
|
+
<xs:simpleType>
|
|
360
|
+
<xs:restriction base="xs:string">
|
|
361
|
+
<xs:enumeration value="labeled_MS1"/>
|
|
362
|
+
<xs:enumeration value="labeled_MS2"/>
|
|
363
|
+
<xs:enumeration value="icat"/>
|
|
364
|
+
<xs:enumeration value="itraq"/>
|
|
365
|
+
<xs:enumeration value="silac"/>
|
|
366
|
+
<xs:enumeration value="label-free"/>
|
|
367
|
+
<xs:enumeration value="other"/>
|
|
368
|
+
</xs:restriction>
|
|
369
|
+
</xs:simpleType>
|
|
370
|
+
</xs:attribute>
|
|
371
|
+
<xs:attribute name="document_id" type="xs:string">
|
|
372
|
+
<xs:annotation>
|
|
373
|
+
<xs:documentation>An optional id for the document. It is recommended to use LSIDs when possible.</xs:documentation>
|
|
374
|
+
</xs:annotation>
|
|
375
|
+
</xs:attribute>
|
|
376
|
+
<xs:attribute name="id" type="xs:string">
|
|
377
|
+
<xs:annotation>
|
|
378
|
+
<xs:documentation>An optional unique id for the document, for internal use by OpenMS.</xs:documentation>
|
|
379
|
+
</xs:annotation>
|
|
380
|
+
</xs:attribute>
|
|
381
|
+
</xs:complexType>
|
|
382
|
+
</xs:element>
|
|
383
|
+
<xs:element name="mapList">
|
|
384
|
+
<xs:annotation>
|
|
385
|
+
<xs:documentation>This list contains the names of all LC-MS file which were aligned.</xs:documentation>
|
|
386
|
+
</xs:annotation>
|
|
387
|
+
<xs:complexType>
|
|
388
|
+
<xs:sequence>
|
|
389
|
+
<xs:element ref="map" maxOccurs="unbounded"/>
|
|
390
|
+
</xs:sequence>
|
|
391
|
+
<xs:attribute name="count" type="xs:unsignedInt" use="required">
|
|
392
|
+
<xs:annotation>
|
|
393
|
+
<xs:documentation>Number of maps.</xs:documentation>
|
|
394
|
+
</xs:annotation>
|
|
395
|
+
</xs:attribute>
|
|
396
|
+
</xs:complexType>
|
|
397
|
+
</xs:element>
|
|
398
|
+
<xs:simpleType name="UserParamType">
|
|
399
|
+
<xs:annotation>
|
|
400
|
+
<xs:documentation>Enumeration of types</xs:documentation>
|
|
401
|
+
</xs:annotation>
|
|
402
|
+
<xs:restriction base="xs:string">
|
|
403
|
+
<xs:enumeration value="int"/>
|
|
404
|
+
<xs:enumeration value="float"/>
|
|
405
|
+
<xs:enumeration value="string"/>
|
|
406
|
+
<xs:enumeration value="intList"/>
|
|
407
|
+
<xs:enumeration value="floatList"/>
|
|
408
|
+
<xs:enumeration value="stringList"/>
|
|
409
|
+
</xs:restriction>
|
|
410
|
+
</xs:simpleType>
|
|
411
|
+
<xs:complexType name="userParam">
|
|
412
|
+
<xs:annotation>
|
|
413
|
+
<xs:documentation>Type-Name-Value type for annotations</xs:documentation>
|
|
414
|
+
</xs:annotation>
|
|
415
|
+
<xs:attribute name="type" type="UserParamType" use="required">
|
|
416
|
+
<xs:annotation>
|
|
417
|
+
<xs:documentation>value type ('int', 'float' or 'string')</xs:documentation>
|
|
418
|
+
</xs:annotation>
|
|
419
|
+
</xs:attribute>
|
|
420
|
+
<xs:attribute name="name" type="xs:string" use="required">
|
|
421
|
+
<xs:annotation>
|
|
422
|
+
<xs:documentation>name of the annotation</xs:documentation>
|
|
423
|
+
</xs:annotation>
|
|
424
|
+
</xs:attribute>
|
|
425
|
+
<xs:attribute name="value" type="xs:anySimpleType" use="required">
|
|
426
|
+
<xs:annotation>
|
|
427
|
+
<xs:documentation>actual value of the annotation</xs:documentation>
|
|
428
|
+
</xs:annotation>
|
|
429
|
+
</xs:attribute>
|
|
430
|
+
</xs:complexType>
|
|
431
|
+
<xs:element name="map">
|
|
432
|
+
<xs:complexType>
|
|
433
|
+
<xs:sequence>
|
|
434
|
+
<xs:element name="userParam" type="userParam" minOccurs="0" maxOccurs="unbounded">
|
|
435
|
+
<xs:annotation>
|
|
436
|
+
<xs:documentation>user parameters</xs:documentation>
|
|
437
|
+
</xs:annotation>
|
|
438
|
+
</xs:element>
|
|
439
|
+
</xs:sequence>
|
|
440
|
+
<xs:attribute name="name" type="xs:string" use="required">
|
|
441
|
+
<xs:annotation>
|
|
442
|
+
<xs:documentation>Name of the map.</xs:documentation>
|
|
443
|
+
</xs:annotation>
|
|
444
|
+
</xs:attribute>
|
|
445
|
+
<xs:attribute name="unique_id" type="xs:string" use="optional">
|
|
446
|
+
<xs:annotation>
|
|
447
|
+
<xs:documentation>An optional unique id for the map, for internal use by OpenMS. Usually copied from the file specified by the name attibute.</xs:documentation>
|
|
448
|
+
</xs:annotation>
|
|
449
|
+
</xs:attribute>
|
|
450
|
+
<xs:attribute name="id" type="xs:unsignedInt" use="required">
|
|
451
|
+
<xs:annotation>
|
|
452
|
+
<xs:documentation>An identifier for the map, used by elements of consensus features to indicate the map from which they originate. It has no meaning outside of the ConsensusXML file.</xs:documentation>
|
|
453
|
+
</xs:annotation>
|
|
454
|
+
</xs:attribute>
|
|
455
|
+
<xs:attribute name="label" type="xs:string">
|
|
456
|
+
<xs:annotation>
|
|
457
|
+
<xs:documentation>A label, e.g. 'heavy' and 'light' in ICAT. The label attribute represents the different roles of elements of consensus features.</xs:documentation>
|
|
458
|
+
</xs:annotation>
|
|
459
|
+
</xs:attribute>
|
|
460
|
+
<xs:attribute name="size" type="xs:unsignedInt" use="optional">
|
|
461
|
+
<xs:annotation>
|
|
462
|
+
<xs:documentation>Number of elements.</xs:documentation>
|
|
463
|
+
</xs:annotation>
|
|
464
|
+
</xs:attribute>
|
|
465
|
+
</xs:complexType>
|
|
466
|
+
</xs:element>
|
|
467
|
+
<xs:element name="consensusElementList">
|
|
468
|
+
<xs:annotation>
|
|
469
|
+
<xs:documentation>The list of consensus elements.</xs:documentation>
|
|
470
|
+
</xs:annotation>
|
|
471
|
+
<xs:complexType>
|
|
472
|
+
<xs:sequence>
|
|
473
|
+
<xs:element ref="consensusElement" maxOccurs="unbounded">
|
|
474
|
+
<xs:annotation>
|
|
475
|
+
<xs:documentation>The consensus element combines corresponding elements of the maps. </xs:documentation>
|
|
476
|
+
</xs:annotation>
|
|
477
|
+
</xs:element>
|
|
478
|
+
</xs:sequence>
|
|
479
|
+
</xs:complexType>
|
|
480
|
+
</xs:element>
|
|
481
|
+
<xs:element name="consensusElement">
|
|
482
|
+
<xs:complexType>
|
|
483
|
+
<xs:sequence>
|
|
484
|
+
<xs:element ref="centroid"/>
|
|
485
|
+
<xs:element ref="groupedElementList"/>
|
|
486
|
+
<xs:element name="PeptideIdentification" minOccurs="0" maxOccurs="unbounded">
|
|
487
|
+
<xs:annotation>
|
|
488
|
+
<xs:documentation>Peptide identifications mapped to this consensus feature.</xs:documentation>
|
|
489
|
+
</xs:annotation>
|
|
490
|
+
<xs:complexType>
|
|
491
|
+
<xs:sequence>
|
|
492
|
+
<xs:element name="PeptideHit" minOccurs="0" maxOccurs="unbounded">
|
|
493
|
+
<xs:annotation>
|
|
494
|
+
<xs:documentation>single reported peptide hit</xs:documentation>
|
|
495
|
+
</xs:annotation>
|
|
496
|
+
<xs:complexType>
|
|
497
|
+
<xs:sequence minOccurs="0">
|
|
498
|
+
<xs:element name="userParam" type="userParam" minOccurs="0" maxOccurs="unbounded"/>
|
|
499
|
+
</xs:sequence>
|
|
500
|
+
<xs:attribute name="sequence" type="xs:string" use="required">
|
|
501
|
+
<xs:annotation>
|
|
502
|
+
<xs:documentation>peptide sequence</xs:documentation>
|
|
503
|
+
</xs:annotation>
|
|
504
|
+
</xs:attribute>
|
|
505
|
+
<xs:attribute name="charge" type="xs:integer" use="required">
|
|
506
|
+
<xs:annotation>
|
|
507
|
+
<xs:documentation>charge of the peptide</xs:documentation>
|
|
508
|
+
</xs:annotation>
|
|
509
|
+
</xs:attribute>
|
|
510
|
+
<xs:attribute name="score" type="xs:float" use="required">
|
|
511
|
+
<xs:annotation>
|
|
512
|
+
<xs:documentation>score of the hit</xs:documentation>
|
|
513
|
+
</xs:annotation>
|
|
514
|
+
</xs:attribute>
|
|
515
|
+
<xs:attribute name="aa_before">
|
|
516
|
+
<xs:annotation>
|
|
517
|
+
<xs:documentation>amino acid before the sequence (for DB search)</xs:documentation>
|
|
518
|
+
</xs:annotation>
|
|
519
|
+
<xs:simpleType>
|
|
520
|
+
<xs:restriction base="xs:string">
|
|
521
|
+
<xs:minLength value="0"/>
|
|
522
|
+
<xs:maxLength value="1"/>
|
|
523
|
+
</xs:restriction>
|
|
524
|
+
</xs:simpleType>
|
|
525
|
+
</xs:attribute>
|
|
526
|
+
<xs:attribute name="aa_after">
|
|
527
|
+
<xs:annotation>
|
|
528
|
+
<xs:documentation>amino acid after the sequence (for DB search)</xs:documentation>
|
|
529
|
+
</xs:annotation>
|
|
530
|
+
<xs:simpleType>
|
|
531
|
+
<xs:restriction base="xs:string">
|
|
532
|
+
<xs:minLength value="0"/>
|
|
533
|
+
<xs:maxLength value="1"/>
|
|
534
|
+
</xs:restriction>
|
|
535
|
+
</xs:simpleType>
|
|
536
|
+
</xs:attribute>
|
|
537
|
+
<xs:attribute name="protein_refs" type="xs:IDREFS">
|
|
538
|
+
<xs:annotation>
|
|
539
|
+
<xs:documentation>References to proteins hits, this peptide occurs in.</xs:documentation>
|
|
540
|
+
</xs:annotation>
|
|
541
|
+
</xs:attribute>
|
|
542
|
+
</xs:complexType>
|
|
543
|
+
</xs:element>
|
|
544
|
+
<xs:element name="userParam" type="userParam" minOccurs="0" maxOccurs="unbounded"/>
|
|
545
|
+
</xs:sequence>
|
|
546
|
+
<xs:attribute name="identification_run_ref" type="xs:IDREF" use="required">
|
|
547
|
+
<xs:annotation>
|
|
548
|
+
<xs:documentation>Reference to the corresponding identification run.</xs:documentation>
|
|
549
|
+
</xs:annotation>
|
|
550
|
+
</xs:attribute>
|
|
551
|
+
<xs:attribute name="score_type" type="xs:string" use="required">
|
|
552
|
+
<xs:annotation>
|
|
553
|
+
<xs:documentation>score type of the protein hits, e.g. MOWSE, p-value,...</xs:documentation>
|
|
554
|
+
</xs:annotation>
|
|
555
|
+
</xs:attribute>
|
|
556
|
+
<xs:attribute name="higher_score_better" type="xs:boolean" use="required">
|
|
557
|
+
<xs:annotation>
|
|
558
|
+
<xs:documentation>if a higher score is better ('true' or false')</xs:documentation>
|
|
559
|
+
</xs:annotation>
|
|
560
|
+
</xs:attribute>
|
|
561
|
+
<xs:attribute name="significance_threshold" type="xs:float">
|
|
562
|
+
<xs:annotation>
|
|
563
|
+
<xs:documentation>significance threshold as calculated by the search engine</xs:documentation>
|
|
564
|
+
</xs:annotation>
|
|
565
|
+
</xs:attribute>
|
|
566
|
+
<xs:attribute name="spectrum_reference" type="xs:unsignedInt">
|
|
567
|
+
<xs:annotation>
|
|
568
|
+
<xs:documentation>Integer reference number of the identified spectrum (or feature)</xs:documentation>
|
|
569
|
+
</xs:annotation>
|
|
570
|
+
</xs:attribute>
|
|
571
|
+
<xs:attribute name="RT" type="xs:float">
|
|
572
|
+
<xs:annotation>
|
|
573
|
+
<xs:documentation>Precursor peak retention time of the identified spectrum</xs:documentation>
|
|
574
|
+
</xs:annotation>
|
|
575
|
+
</xs:attribute>
|
|
576
|
+
<xs:attribute name="MZ" type="xs:float">
|
|
577
|
+
<xs:annotation>
|
|
578
|
+
<xs:documentation>Precursor peak mass-to-charge ratio of the identified spectrum</xs:documentation>
|
|
579
|
+
</xs:annotation>
|
|
580
|
+
</xs:attribute>
|
|
581
|
+
</xs:complexType>
|
|
582
|
+
</xs:element>
|
|
583
|
+
<xs:element name="userParam" type="userParam" minOccurs="0" maxOccurs="unbounded">
|
|
584
|
+
<xs:annotation>
|
|
585
|
+
<xs:documentation>user parameters</xs:documentation>
|
|
586
|
+
</xs:annotation>
|
|
587
|
+
</xs:element>
|
|
588
|
+
</xs:sequence>
|
|
589
|
+
<xs:attribute name="id" type="xs:ID" use="required">
|
|
590
|
+
<xs:annotation>
|
|
591
|
+
<xs:documentation>Unique identifier for the consensus element. OpenMS uses unsigned 64 bit integers as unique ids. As an xs:id cannot be an integer number, the values are typically prefixed with 'e_'.</xs:documentation>
|
|
592
|
+
</xs:annotation>
|
|
593
|
+
</xs:attribute>
|
|
594
|
+
<xs:attribute name="quality" type="xs:double">
|
|
595
|
+
<xs:annotation>
|
|
596
|
+
<xs:documentation>Quality value assigned to this consensus element.</xs:documentation>
|
|
597
|
+
</xs:annotation>
|
|
598
|
+
</xs:attribute>
|
|
599
|
+
<xs:attribute name="charge" type="xs:integer">
|
|
600
|
+
<xs:annotation>
|
|
601
|
+
<xs:documentation>Charge assigned to the consensus element. A missing change attribute is equal to charge 0.</xs:documentation>
|
|
602
|
+
</xs:annotation>
|
|
603
|
+
</xs:attribute>
|
|
604
|
+
</xs:complexType>
|
|
605
|
+
</xs:element>
|
|
606
|
+
<xs:element name="centroid">
|
|
607
|
+
<xs:annotation>
|
|
608
|
+
<xs:documentation>The centroid coordinates of the consensus element.</xs:documentation>
|
|
609
|
+
</xs:annotation>
|
|
610
|
+
<xs:complexType>
|
|
611
|
+
<xs:attribute name="rt" type="xs:double" use="required">
|
|
612
|
+
<xs:annotation>
|
|
613
|
+
<xs:documentation>Retention time.</xs:documentation>
|
|
614
|
+
</xs:annotation>
|
|
615
|
+
</xs:attribute>
|
|
616
|
+
<xs:attribute name="mz" type="xs:double" use="required">
|
|
617
|
+
<xs:annotation>
|
|
618
|
+
<xs:documentation>M/Z value.</xs:documentation>
|
|
619
|
+
</xs:annotation>
|
|
620
|
+
</xs:attribute>
|
|
621
|
+
<xs:attribute name="it" type="xs:double" use="required">
|
|
622
|
+
<xs:annotation>
|
|
623
|
+
<xs:documentation>Intensity.</xs:documentation>
|
|
624
|
+
</xs:annotation>
|
|
625
|
+
</xs:attribute>
|
|
626
|
+
</xs:complexType>
|
|
627
|
+
</xs:element>
|
|
628
|
+
<xs:element name="groupedElementList">
|
|
629
|
+
<xs:annotation>
|
|
630
|
+
<xs:documentation>The list of elements which are grouped together and define this consensus element.</xs:documentation>
|
|
631
|
+
</xs:annotation>
|
|
632
|
+
<xs:complexType>
|
|
633
|
+
<xs:sequence>
|
|
634
|
+
<xs:element ref="element" maxOccurs="unbounded">
|
|
635
|
+
<xs:annotation>
|
|
636
|
+
<xs:documentation>The combined elements.</xs:documentation>
|
|
637
|
+
</xs:annotation>
|
|
638
|
+
</xs:element>
|
|
639
|
+
</xs:sequence>
|
|
640
|
+
</xs:complexType>
|
|
641
|
+
</xs:element>
|
|
642
|
+
<xs:element name="element">
|
|
643
|
+
<xs:complexType>
|
|
644
|
+
<xs:attribute name="map" type="xs:unsignedInt" use="required">
|
|
645
|
+
<xs:annotation>
|
|
646
|
+
<xs:documentation>The element's original map index.</xs:documentation>
|
|
647
|
+
</xs:annotation>
|
|
648
|
+
</xs:attribute>
|
|
649
|
+
<xs:attribute name="id" type="xs:string" use="required">
|
|
650
|
+
<xs:annotation>
|
|
651
|
+
<xs:documentation>The element's unique id in its original map.</xs:documentation>
|
|
652
|
+
</xs:annotation>
|
|
653
|
+
</xs:attribute>
|
|
654
|
+
<xs:attribute name="rt" type="xs:double" use="required">
|
|
655
|
+
<xs:annotation>
|
|
656
|
+
<xs:documentation>Retention time of the element.</xs:documentation>
|
|
657
|
+
</xs:annotation>
|
|
658
|
+
</xs:attribute>
|
|
659
|
+
<xs:attribute name="mz" type="xs:double" use="required">
|
|
660
|
+
<xs:annotation>
|
|
661
|
+
<xs:documentation>M/Z of the element.</xs:documentation>
|
|
662
|
+
</xs:annotation>
|
|
663
|
+
</xs:attribute>
|
|
664
|
+
<xs:attribute name="it" type="xs:double" use="required">
|
|
665
|
+
<xs:annotation>
|
|
666
|
+
<xs:documentation>The intensity of the element.</xs:documentation>
|
|
667
|
+
</xs:annotation>
|
|
668
|
+
</xs:attribute>
|
|
669
|
+
<xs:attribute name="charge" type="xs:integer">
|
|
670
|
+
<xs:annotation>
|
|
671
|
+
<xs:documentation>The charge of the element. A missing change attribute is equal to charge 0.</xs:documentation>
|
|
672
|
+
</xs:annotation>
|
|
673
|
+
</xs:attribute>
|
|
674
|
+
</xs:complexType>
|
|
675
|
+
</xs:element>
|
|
676
|
+
<xs:simpleType name="MassType">
|
|
677
|
+
<xs:annotation>
|
|
678
|
+
<xs:documentation>Enumeration of mass types</xs:documentation>
|
|
679
|
+
</xs:annotation>
|
|
680
|
+
<xs:restriction base="xs:string">
|
|
681
|
+
<xs:enumeration value="average"/>
|
|
682
|
+
<xs:enumeration value="monoisotopic"/>
|
|
683
|
+
</xs:restriction>
|
|
684
|
+
</xs:simpleType>
|
|
685
|
+
<xs:simpleType name="DigestionEnzyme">
|
|
686
|
+
<xs:annotation>
|
|
687
|
+
<xs:documentation>Enumeration of digestion enzymes</xs:documentation>
|
|
688
|
+
</xs:annotation>
|
|
689
|
+
<xs:restriction base="xs:string">
|
|
690
|
+
<xs:enumeration value="pepsin_a"/>
|
|
691
|
+
<xs:enumeration value="chymotrypsin"/>
|
|
692
|
+
<xs:enumeration value="proteinase_k"/>
|
|
693
|
+
<xs:enumeration value="trypsin"/>
|
|
694
|
+
<xs:enumeration value="no_enzyme"/>
|
|
695
|
+
<xs:enumeration value="unknown_enzyme"/>
|
|
696
|
+
</xs:restriction>
|
|
697
|
+
</xs:simpleType>
|
|
698
|
+
</xs:schema>
|