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.
Files changed (166) hide show
  1. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/License.txt +52 -0
  2. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/__init__.py +54 -0
  3. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/__init__.pyc +0 -0
  4. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/all_modules.py +4 -0
  5. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/all_modules.pyc +0 -0
  6. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/docompile.py +35 -0
  7. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/docompile.pyc +0 -0
  8. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/libOpenMS.so +0 -0
  9. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/libOpenSwathAlgo.so +0 -0
  10. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/libSuperHirn.so +0 -0
  11. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/pyopenms_1.so +0 -0
  12. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/pyopenms_2.so +0 -0
  13. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/pyopenms_3.so +0 -0
  14. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/pyopenms_4.so +0 -0
  15. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/python_extras.py +22 -0
  16. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/python_extras.pyc +0 -0
  17. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/qt_version_info.py +2 -0
  18. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/qt_version_info.pyc +0 -0
  19. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/Elements.xml +1221 -0
  20. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/Enzymes.xml +269 -0
  21. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/HMDBMappingFile.tsv +10104 -0
  22. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModel.scale +6 -0
  23. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModel.svm +626 -0
  24. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModelNoised2.scale +4 -0
  25. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModelNoised2.svm +559 -0
  26. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModelNoised5.scale +4 -0
  27. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModelNoised5.svm +1010 -0
  28. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MissedCleavage.model +229 -0
  29. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/NegativeAdducts.tsv +15 -0
  30. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/OMSSA_modification_mapping +158 -0
  31. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/PSI-MOD.obo +23804 -0
  32. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/PositiveAdducts.tsv +33 -0
  33. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/Residues.xml +470 -0
  34. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/XLMOD.obo +623 -0
  35. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/XTandem_default_input.xml +181 -0
  36. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/unimod.xml +38885 -0
  37. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/brenda.obo +22923 -0
  38. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/goslim_goa.obo +823 -0
  39. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/psi-ms.obo +17899 -0
  40. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/psi-mzdata.obo +2920 -0
  41. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/qc-cv.obo +471 -0
  42. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/quality.obo +12581 -0
  43. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/unimod.obo +13214 -0
  44. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/unit.obo +2585 -0
  45. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/DESKTOP/TOPPAS.appdata.xml +33 -0
  46. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/DESKTOP/TOPPAS.desktop +10 -0
  47. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/DESKTOP/TOPPView.appdata.xml +35 -0
  48. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/DESKTOP/TOPPView.desktop +11 -0
  49. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/DESKTOP/readme.txt +5 -0
  50. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/GUISTYLE/qtStyleSheet.qss +9 -0
  51. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/IDPool/IDPool.txt +0 -0
  52. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/IDPool/README +29 -0
  53. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/MAPPING/TraML-mapping.xml +171 -0
  54. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/MAPPING/ms-mapping.xml +187 -0
  55. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/MAPPING/mzIdentML-mapping.xml +221 -0
  56. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/MAPPING/mzdata-mapping.xml +158 -0
  57. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/PIP/codebooks.data +2 -0
  58. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/PIP/linearMapping.data +2 -0
  59. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/CTD_0_3.xsd +168 -0
  60. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_0.xsd +376 -0
  61. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_1.xsd +381 -0
  62. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_2.xsd +202 -0
  63. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_3.xsd +686 -0
  64. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_4.xsd +694 -0
  65. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_5.xsd +698 -0
  66. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_6.xsd +613 -0
  67. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_7.xsd +618 -0
  68. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/CvMapping.xsd +157 -0
  69. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_0.xsd +737 -0
  70. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_1.xsd +770 -0
  71. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_2.xsd +770 -0
  72. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_3.xsd +660 -0
  73. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_4.xsd +660 -0
  74. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_5.xsd +670 -0
  75. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_6.xsd +674 -0
  76. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_7.xsd +679 -0
  77. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_8.xsd +587 -0
  78. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_9.xsd +592 -0
  79. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FuGElightv1.0.0.xsd +1118 -0
  80. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_0.xsd +340 -0
  81. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_1.xsd +345 -0
  82. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_2.xsd +354 -0
  83. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_3.xsd +367 -0
  84. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_4.xsd +371 -0
  85. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_5.xsd +371 -0
  86. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_0.xsd +91 -0
  87. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_1.xsd +101 -0
  88. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_2.xsd +168 -0
  89. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_3.xsd +173 -0
  90. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_4.xsd +149 -0
  91. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_6_2.xsd +99 -0
  92. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ToolDescriptor_1_0.xsd +232 -0
  93. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/TraML0.9.3.xsd +552 -0
  94. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/TraML1.0.0.xsd +622 -0
  95. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/TrafoXML_1_0.xsd +102 -0
  96. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/general_types_1.0.xsd +17 -0
  97. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzData_1_05.xsd +631 -0
  98. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzIdentML1.0.0.xsd +1339 -0
  99. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzIdentML1.1.0.xsd +1845 -0
  100. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzML_1_00.xsd +921 -0
  101. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzML_1_10.xsd +1119 -0
  102. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzML_idx_1_00.xsd +992 -0
  103. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzML_idx_1_10.xsd +1201 -0
  104. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzQCML_0_0_5.xsd +220 -0
  105. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzQuantML_1_0_0-rc2.xsd +1557 -0
  106. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzXML_2_1.xsd +1 -1
  107. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzXML_3.1.xsd +1 -1
  108. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzXML_3.1_mod.xsd +686 -0
  109. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzXML_idx_3.1.xsd +60 -0
  110. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/pepXML_v114.xsd +1448 -0
  111. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/protXML_v6.xsd +935 -0
  112. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/qcML_0.0.7.xsd +235 -0
  113. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/separation_technique_1.0.xsd +10 -0
  114. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/xQuest_1_0.xsd +210 -0
  115. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/InternalCalibration_Models.R +40 -0
  116. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/InternalCalibration_Residuals.R +57 -0
  117. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_acc.R +28 -0
  118. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_idmap.R +39 -0
  119. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_inj.R +27 -0
  120. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_rt_acc.R +31 -0
  121. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_setid.R +27 -0
  122. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_tic.R +23 -0
  123. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/Rscript_generic_example.R +88 -0
  124. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/mzTab2tsv_PEP.R +47 -0
  125. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/mzTab2tsv_PRT.R +104 -0
  126. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/mzTab2tsv_PSM.R +80 -0
  127. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/plot_trafo.R +126 -0
  128. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/THIRDPARTY/ReadMe.txt +9 -0
  129. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Hardkloer.ttd +109 -0
  130. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/LINUX/TPP_ProteinProphet.ttd +46 -0
  131. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/LINUX/mail.ttd +22 -0
  132. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/MSGFtoPercolator.ttd +30 -0
  133. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/MascotPercolator.ttd +42 -0
  134. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Percolator.ttd +29 -0
  135. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/QCExporter.ttd +51 -0
  136. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/RawDirConvert.ttd +25 -0
  137. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/ReadMe.txt +72 -0
  138. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_generic.ttd +42 -0
  139. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_mzTab2tsv_PEP.ttd +26 -0
  140. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_mzTab2tsv_PRT.ttd +26 -0
  141. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_mzTab2tsv_PSM.ttd +26 -0
  142. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_acc.ttd +30 -0
  143. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_idmap.ttd +33 -0
  144. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_rt_acc.ttd +30 -0
  145. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_setid.ttd +30 -0
  146. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_tic.ttd +30 -0
  147. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_trapfill.ttd +30 -0
  148. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/TEMPLATE.ttd_ +52 -0
  149. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/TPP_RefreshParser.ttd +28 -0
  150. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/WINDOWS/TPP_ProteinProphet.ttd +46 -0
  151. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/XTandemToPercolator.ttd +30 -0
  152. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/msconvert.ttd +25 -0
  153. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/XSL/APML_to_CSV.xsl +43 -0
  154. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/XSL/ConsensusXML.xsl +76 -0
  155. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/XSL/IdXML.xsl +210 -0
  156. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/XSL/QcML_report_sheet.xsl +548 -0
  157. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/XSL/index.html +97 -0
  158. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/sysinfo.py +47 -0
  159. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/sysinfo.pyc +0 -0
  160. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/version.py +1 -0
  161. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/version.pyc +0 -0
  162. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms-2.3.0-py2.7.egg-info/PKG-INFO +108 -0
  163. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms-2.3.0-py2.7.egg-info/SOURCES.txt +158 -0
  164. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms-2.3.0-py2.7.egg-info/dependency_links.txt +1 -0
  165. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms-2.3.0-py2.7.egg-info/not-zip-safe +1 -0
  166. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms-2.3.0-py2.7.egg-info/top_level.txt +5 -0
@@ -0,0 +1,33 @@
1
+ <ttd>
2
+ <tool status="external">
3
+ <category>does not really matter</category>
4
+ <type>Rscript_qcfigures_idmap</type>
5
+ <external>
6
+ <text>
7
+ <onstartup>Calling Rscript id map ...</onstartup>
8
+ <onfail>Something went wrong. Is 'R' in your PATH?</onfail>
9
+ <onfinish>Tool finished successfully.</onfinish>
10
+ </text>
11
+ <e_category>FileConversion</e_category>
12
+ <cloptions> --vanilla "%1/ProduceQCFigures_idmap.R" "%2" "%3" "%4"</cloptions>
13
+ <path>Rscript</path>
14
+ <mappings>
15
+ <mapping id="1" cl="%%scriptpath" />
16
+ <mapping id="2" cl="%%inTSVprec" />
17
+ <mapping id="3" cl="%%inTSVacc" />
18
+ <mapping id="4" cl="%TMP/%BASENAME[%%inTSVprec]_idmap.png" />
19
+ <file_post location="%TMP/%BASENAME[%%inTSVprec]_idmap.png" target="out" />
20
+ </mappings>
21
+ <ini_param>
22
+ <ITEM name="scriptpath" value="." type="string" description="input script path, this should point
23
+ to share/OpenMS/SCRIPTS of your OpenMS installation"/>
24
+ <ITEM name="inTSVprec" value="" type="string" description="tabular input data for precursor stats(valid formats:
25
+ &apos;unknown,tsv&apos;)" tags="input file" />
26
+ <ITEM name="inTSVacc" value="" type="string" description="tabular input data for accuracy stats(valid formats:
27
+ &apos;unknown,tsv&apos;)" tags="input file" />
28
+ <ITEM name="out" value="" type="string" description="output figure from R(valid formats:
29
+ &apos;png&apos;)" tags="output file" />
30
+ </ini_param>
31
+ </external>
32
+ </tool>
33
+ </ttd>
@@ -0,0 +1,30 @@
1
+ <ttd>
2
+ <tool status="external">
3
+ <category>does not really matter</category>
4
+ <type>Rscript_qcfigures_rt_acc</type>
5
+ <external>
6
+ <text>
7
+ <onstartup>Calling Rscript rt acc ...</onstartup>
8
+ <onfail>Something went wrong. Is 'R' in your PATH?</onfail>
9
+ <onfinish>Tool finished successfully.</onfinish>
10
+ </text>
11
+ <e_category>FileConversion</e_category>
12
+ <cloptions>--vanilla "%1/ProduceQCFigures_rt_acc.R" "%2" "%3"</cloptions>
13
+ <path>Rscript</path>
14
+ <mappings>
15
+ <mapping id="1" cl="%%scriptpath" />
16
+ <mapping id="2" cl="%%inTSVacc" />
17
+ <mapping id="3" cl="%TMP/%BASENAME[%%inTSVacc]_acc_time.png" />
18
+ <file_post location="%TMP/%BASENAME[%%inTSVacc]_acc_time.png" target="out" />
19
+ </mappings>
20
+ <ini_param>
21
+ <ITEM name="scriptpath" value="." type="string" description="input script path, this should point
22
+ to share/OpenMS/SCRIPTS of your OpenMS installation"/>
23
+ <ITEM name="inTSVacc" value="" type="string" description="tabular input data for accuracy stats(valid formats:
24
+ &apos;unknown,tsv&apos;)" tags="input file" />
25
+ <ITEM name="out" value="" type="string" description="output figure from R(valid formats:
26
+ &apos;png&apos;)" tags="output file" />
27
+ </ini_param>
28
+ </external>
29
+ </tool>
30
+ </ttd>
@@ -0,0 +1,30 @@
1
+ <ttd>
2
+ <tool status="external">
3
+ <category>does not really matter</category>
4
+ <type>Rscript_qcfigures_setid</type>
5
+ <external>
6
+ <text>
7
+ <onstartup>Calling Rscript set id ...</onstartup>
8
+ <onfail>Something went wrong. Is 'R' in your PATH?</onfail>
9
+ <onfinish>Tool finished successfully.</onfinish>
10
+ </text>
11
+ <e_category>FileConversion</e_category>
12
+ <cloptions>--vanilla "%1/ProduceQCFigures_setid.R" "%2" "%3"</cloptions>
13
+ <path>Rscript</path>
14
+ <mappings>
15
+ <mapping id="1" cl="%%scriptpath" />
16
+ <mapping id="2" cl="%%inTSVsetid" />
17
+ <mapping id="3" cl="%TMP/%BASENAME[%%inTSVsetid]_setid.png" />
18
+ <file_post location="%TMP/%BASENAME[%%inTSVsetid]_setid.png" target="out" />
19
+ </mappings>
20
+ <ini_param>
21
+ <ITEM name="scriptpath" value="." type="string" description="input script path, this should point
22
+ to share/OpenMS/SCRIPTS of your OpenMS installation"/>
23
+ <ITEM name="inTSVsetid" value="" type="string" description="tabular input data for set id quantile data(valid formats:
24
+ &apos;unknown,tsv&apos;)" tags="input file" />
25
+ <ITEM name="out" value="" type="string" description="output figure from R(valid formats:
26
+ &apos;png&apos;)" tags="output file" />
27
+ </ini_param>
28
+ </external>
29
+ </tool>
30
+ </ttd>
@@ -0,0 +1,30 @@
1
+ <ttd>
2
+ <tool status="external">
3
+ <category>does not really matter</category>
4
+ <type>Rscript_qcfigures_tic</type>
5
+ <external>
6
+ <text>
7
+ <onstartup>Calling Rscript tic ...</onstartup>
8
+ <onfail>Something went wrong. Is 'R' in your PATH?</onfail>
9
+ <onfinish>Tool finished successfully.</onfinish>
10
+ </text>
11
+ <e_category>FileConversion</e_category>
12
+ <cloptions>--vanilla "%1/ProduceQCFigures_tic.R" "%2" "%3"</cloptions>
13
+ <path>Rscript</path>
14
+ <mappings>
15
+ <mapping id="1" cl="%%scriptpath" />
16
+ <mapping id="2" cl="%%inTSVtic" />
17
+ <mapping id="3" cl="%TMP/%BASENAME[%%inTSVtic]_tic.png" />
18
+ <file_post location="%TMP/%BASENAME[%%inTSVtic]_tic.png" target="out" />
19
+ </mappings>
20
+ <ini_param>
21
+ <ITEM name="scriptpath" value="." type="string" description="input script path, this should point
22
+ to share/OpenMS/SCRIPTS of your OpenMS installation"/>
23
+ <ITEM name="inTSVtic" value="" type="string" description="tabular input data for tic stats(valid formats:
24
+ &apos;unknown,tsv&apos;)" tags="input file" />
25
+ <ITEM name="out" value="" type="string" description="output figure from R(valid formats:
26
+ &apos;png&apos;)" tags="output file" />
27
+ </ini_param>
28
+ </external>
29
+ </tool>
30
+ </ttd>
@@ -0,0 +1,30 @@
1
+ <ttd>
2
+ <tool status="external">
3
+ <category>does not really matter</category>
4
+ <type>Rscript_qcfigures_inj</type>
5
+ <external>
6
+ <text>
7
+ <onstartup>Calling Rscript inj ...</onstartup>
8
+ <onfail>Something went wrong. Is 'R' in your PATH?</onfail>
9
+ <onfinish>Tool finished successfully.</onfinish>
10
+ </text>
11
+ <e_category>FileConversion</e_category>
12
+ <cloptions>--vanilla "%1/ProduceQCFigures_inj.R" "%2" "%3"</cloptions>
13
+ <path>Rscript</path>
14
+ <mappings>
15
+ <mapping id="1" cl="%%scriptpath" />
16
+ <mapping id="2" cl="%%inTSVfill" />
17
+ <mapping id="3" cl="%TMP/%BASENAME[%%inTSVfill]_inj.png" />
18
+ <file_post location="%TMP/%BASENAME[%%inTSVfill]_inj.png" target="out" />
19
+ </mappings>
20
+ <ini_param>
21
+ <ITEM name="scriptpath" value="." type="string" description="input script path, this should point
22
+ to share/OpenMS/SCRIPTS of your OpenMS installation"/>
23
+ <ITEM name="inTSVfill" value="" type="string" description="tabular input data for trap filltimes(valid formats:
24
+ &apos;unknown,tsv&apos;)" tags="input file" />
25
+ <ITEM name="out" value="" type="string" description="output figure from R(valid formats:
26
+ &apos;png&apos;)" tags="output file" />
27
+ </ini_param>
28
+ </external>
29
+ </tool>
30
+ </ttd>
@@ -0,0 +1,52 @@
1
+ <ttd>
2
+ <tool status="external">
3
+ <category>does not really matter</category>
4
+ <!-- this is the name of the '-type' which is added to GenericWrapper - so chose carefully -->
5
+ <type>RAWFileConvert</type>
6
+ <!-- description of the wrapper -->
7
+ <external>
8
+ <text>
9
+ <onstartup>This is printed on startup ... Wrapper was tested with "external_tool" vX.Y.Z, report issues to the OpenMS team at www.OpenMS.de</onstartup>
10
+ <onfail>This is printed in case of error - you can list possible causes for failure here...</onfail>
11
+ <onfinish>This is printed when finished successfully.</onfinish>
12
+ </text>
13
+ <!-- currently disregarded by TOPPAS, but might become useful -->
14
+ <e_category>FileConversion</e_category>
15
+ <!-- command line options of your external tool (use placeholders ,e.g. %1 to insert dynamic content)
16
+ You should quote placeholders which hold single files, but avoid quotes for lists (ITEMLIST in ini_param section), since they are quoted by GenericWrapper
17
+ automatically -->
18
+ <cloptions>-o "%1" --mzML "%2"</cloptions>
19
+ <!-- the actual executable (usually it should be in your PATH, to avoid having to specify a full path to it) -->
20
+ <path>msconvert</path>
21
+ <!-- sets the working directory to this path before calling the external tool. Some tools write to the current working directory
22
+ and thus starting the tool from somewhere else might actually lead to trouble
23
+ use only real paths here (no placeholders like %TMP) -->
24
+ <workingdirectory>.</workingdirectory>
25
+ <!-- these mappings connect input parameters (from the 'ini_param' section below) and the command line options of your tool
26
+ any INI parameter can be referenced using %%'param_name', e.g. %%in
27
+ additionally you can use %TMP and %BASENAME[X] to get the current temp directory to store data, or the basename of X -->
28
+ <mappings>
29
+ <mapping id="1" cl="%TMP" />
30
+ <mapping id="2" cl="%%in" />
31
+
32
+ <!-- input mapping/copying: this is a little hard to explain and usually you will not need it (delete all file-tags of the parameter!)
33
+ what it does: when the wrapped tool works with in-place files (i.e. overwrites its input), you must copy it before invoking the tool,
34
+ e.g. TPP's RefreshParser will overwrite its input pepXML file
35
+ The targeted parameter gets replaced with a temporary filename after the copy is done, so that subsequent
36
+ operations target the temp file -->
37
+ <file_pre location="%TMP/%RND_%%in" target="in" />
38
+
39
+ <!-- output mapping/moving: this is a little hard to explain and usually you will not need it (delete all file-tags of the parameter!)
40
+ what it does: when you cannot specify an explicit output file to the external tool and it rather determines that by itself,
41
+ e.g. msconvert will create an output file (call it F) which has the same name as the input file with a replaced suffix
42
+ then you might need to move F to the name specified in 'out' (or any other parameter)
43
+ Thus you specify the name of F and the name of the target parameter (in terms of INI parameter values) -->
44
+ <file_post location="%TMP/%BASENAME[%%in].mzML" target="out" />
45
+ </mappings>
46
+ <ini_param>
47
+ <ITEM name="in" value="" type="string" description="input file in RAW format(valid formats: &apos;RAW&apos;)" tags="input file" />
48
+ <ITEM name="out" value="" type="string" description="output file in mzML format(valid formats: &apos;mzML&apos;)" tags="output file" />
49
+ </ini_param>
50
+ </external>
51
+ </tool>
52
+ </ttd>
@@ -0,0 +1,28 @@
1
+ <ttd>
2
+ <tool status="external">
3
+ <category>does not really matter</category>
4
+ <type>TPP_RefreshParser</type>
5
+ <external>
6
+ <text>
7
+ <onstartup>Calling TPP's RefreshParser ... Wrapper tested with TPP v4.4.1 (VUVUZELA), report issues to the OpenMS team at www.OpenMS.de</onstartup>
8
+ <onfail>Something went wrong. Is 'RefreshParser' in your PATH?</onfail>
9
+ <onfinish>Tool finished successfully.</onfinish>
10
+ </text>
11
+ <e_category>FileConversion</e_category>
12
+ <cloptions>"%1" "%2"</cloptions>
13
+ <path>RefreshParser</path>
14
+ <workingdirectory>.</workingdirectory>
15
+ <mappings>
16
+ <mapping id="1" cl="%%in" />
17
+ <mapping id="2" cl="%%database" />
18
+ <file_pre location="%TMP/%RND_%BASENAME[%%in]" target="in" />
19
+ <file_post location="%%in" target="out" />
20
+ </mappings>
21
+ <ini_param>
22
+ <ITEM name="in" value="" type="string" description="input file in pepXML format(valid formats: &apos;pepXML&apos;)" tags="input file,required" />
23
+ <ITEM name="database" value="" type="string" description="FASTA database to find matching proteins." tags="input file,required" />
24
+ <ITEM name="out" value="" type="string" description="output file in pepXML format(valid formats: &apos;pepXML&apos;)" tags="output file,required" />
25
+ </ini_param>
26
+ </external>
27
+ </tool>
28
+ </ttd>
@@ -0,0 +1,46 @@
1
+ <ttd>
2
+ <tool status="external">
3
+ <category>does not really matter</category>
4
+ <type>TPP_ProteinProphet</type>
5
+ <external>
6
+ <text>
7
+ <onstartup>Calling TPP's ProteinProphet... Wrapper tested with TPP v4.4.1 (VUVUZELA), report issues to the OpenMS team at www.OpenMS.de</onstartup>
8
+ <onfail>Something went wrong. Possible cause: You forgot to call TPP's 'RefreshParser' prior to calling this?</onfail>
9
+ <onfinish>Tool finished successfully.</onfinish>
10
+ </text>
11
+ <e_category>Protein/Peptide Identification</e_category>
12
+ <cloptions>"%1" %2 EXCELPEPS %4 %6 %7 %8 %9 %10 %11</cloptions>
13
+ <path>ProteinProphet</path>
14
+ <workingdirectory>c:/Inetpub/wwwroot/ISB</workingdirectory>
15
+ <mappings>
16
+ <mapping id="1" cl="%%in" />
17
+ <mapping id="2" cl="MINPROB %%min_prob" />
18
+ <mapping id="4" cl="EXCEL%%excel_minprob" />
19
+ <mapping id="6" cl="%%flag_delude" />
20
+ <mapping id="7" cl="%%flag_normprotlen" />
21
+ <mapping id="8" cl="%%flag_logprobs" />
22
+ <mapping id="9" cl="%%flag_confem" />
23
+ <mapping id="10" cl="%%flag_allpeps" />
24
+ <mapping id="11" cl="%%flag_noplot" />
25
+ <file_post location="%WORKINGDIR/0.prot.xml" target="out" />
26
+ <file_post location="%WORKINGDIR/0.prot.xls" target="out_xls" />
27
+ </mappings>
28
+ <ini_param>
29
+ <ITEM name="in" value="" type="string" description="Input file in pepXML format(valid formats: &apos;pepXML&apos;)" tags="input file,required" />
30
+ <ITEM name="out" value="" type="string" description="Output file in protXML format(valid formats: &apos;protXML&apos;)" tags="output file" />
31
+ <ITEM name="out_xls" value="" type="string" description="Output file in XLS format(valid formats: &apos;xls&apos;)." tags="output file" />
32
+
33
+ <ITEM name="min_prob" value="0.05" type="float" description="PeptideProphet (or any other) probabilty threshold"/>
34
+ <ITEM name="excel_minprob" value="0.0" type="float" description="Write output tab delim xls file including all protein (group)s with minimum probability (only meaningful when 'flag_excel' is set)." restrictions="0:1" tags=""/>
35
+
36
+ <ITEM name="flag_occam" value="" type="string" description="Do not use Occam's Razor to derive the simplest protein list to explain observed peptides" tags="" restrictions=",NOOCCAM" />
37
+ <ITEM name="flag_delude" value="" type="string" description="Do NOT use peptide degeneracy information when assessing proteins" tags="" restrictions=",DELUDE" />
38
+ <ITEM name="flag_normprotlen" value="" type="string" description="Normalize NSP using protein length" tags="" restrictions=",NORMPROTLEN" />
39
+ <ITEM name="flag_logprobs" value="" type="string" description="Use the log of the probabilities in the confidence calculations" tags="" restrictions=",LOGPROBS" />
40
+ <ITEM name="flag_confem" value="" type="string" description="Use the EM to compute probability given the confidence" tags="" restrictions=",CONFEM" />
41
+ <ITEM name="flag_allpeps" value="" type="string" description="Consider all possible peptides in the database in the confidence model" tags="" restrictions=",ALLPEPS" />
42
+ <ITEM name="flag_noplot" value="" type="string" description="do not generate plot png file" tags="" restrictions=",NOPLOT" />
43
+ </ini_param>
44
+ </external>
45
+ </tool>
46
+ </ttd>
@@ -0,0 +1,30 @@
1
+ <ttd>
2
+ <tool status="external">
3
+ <category>Identification</category>
4
+ <type>XTandemToPercolator</type>
5
+ <external>
6
+ <text>
7
+ <onstartup>Running "tandem2pin" converter...</onstartup>
8
+ <onfail>Something went wrong. Is the tandem2pin executable globally accessible?</onfail>
9
+ <onfinish>tandem2pin finished successfully.</onfinish>
10
+ </text>
11
+ <e_category>Identification</e_category>
12
+ <cloptions>--pattern "%4" --outputTab "%3" "%1" "%2"</cloptions>
13
+ <path>tandem2pin</path>
14
+ <workingdirectory>.</workingdirectory>
15
+ <mappings>
16
+ <mapping id="1" cl="%%in" />
17
+ <mapping id="2" cl="%%in_decoy" />
18
+ <mapping id="3" cl="%%out" />
19
+ <mapping id="4" cl="%%decoy_pattern" />
20
+ </mappings>
21
+ <ini_param>
22
+ <ITEM name="in" value="" type="string" description="Input file: X! Tandem search results; either from a combined target/decoy search (then set 'decoy_pattern') or from a target-only search (then set 'in_decoy') (valid formats: 'xml')" tags="input file" />
23
+ <ITEM name="in_decoy" value="" type="string" description="Input file: X! Tandem search results; from a decoy-only search (valid formats: 'xml')" tags="input file" />
24
+ <ITEM name="out" value="" type="string" description="Output file: Percolator tab-delimited input (valid formats: 'csv')" tags="output file" />
25
+ <ITEM name="decoy_pattern" value="DECOY_" type="string" description="Pattern identifying decoy matches. Ignored if 'in_decoy' is set, but must not be empty!" />
26
+ <ITEM name="enzyme" value="trypsin" type="string" description="Enzyme used for digestion" restrictions="no_enzyme,elastase,pepsin,proteinasek,thermolysin,chymotrypsin,lys-n,lys-c,arg-c,asp-n,glu-c,trypsin" />
27
+ </ini_param>
28
+ </external>
29
+ </tool>
30
+ </ttd>
@@ -0,0 +1,25 @@
1
+ <ttd>
2
+ <tool status="external">
3
+ <category>does not really matter</category>
4
+ <type>RAWFileConvert</type>
5
+ <external>
6
+ <text>
7
+ <onstartup>Calling PWiz' msconvert ...</onstartup>
8
+ <onfail>Something went wrong. Is 'msconvert' in your PATH?</onfail>
9
+ <onfinish>Tool finished successfully.</onfinish>
10
+ </text>
11
+ <e_category>FileConversion</e_category>
12
+ <cloptions>-o "%1" --mzML "%2"</cloptions>
13
+ <path>msconvert</path>
14
+ <mappings>
15
+ <mapping id="1" cl="%TMP/GenericWrapper_%RND" />
16
+ <mapping id="2" cl="%%in" />
17
+ <file_post location="%1/%BASENAME[%%in].mzML" target="out" />
18
+ </mappings>
19
+ <ini_param>
20
+ <ITEM name="in" value="" type="string" description="input file in RAW format(valid formats: &apos;RAW&apos;)" tags="input file" />
21
+ <ITEM name="out" value="" type="string" description="output file in mzML format(valid formats: &apos;mzML&apos;)" tags="output file" />
22
+ </ini_param>
23
+ </external>
24
+ </tool>
25
+ </ttd>
@@ -0,0 +1,43 @@
1
+ <?xml version="1.0" ?>
2
+ <xsl:stylesheet xmlns:xsl="http://www.w3.org/1999/XSL/Transform" version="1.0">
3
+ <xsl:output method="html"/>
4
+
5
+
6
+
7
+ <xsl:template match="/">
8
+ <html>
9
+ <body>
10
+ <xsl:apply-templates select="apml/dataProcessing/software" />
11
+ <br/>
12
+ #Format: RT mz Intensity Charge Mass<br/>
13
+ <xsl:apply-templates select="apml/data/peak_lists/peak_list/features/feature">
14
+ <xsl:sort select="@id" />
15
+ </xsl:apply-templates>
16
+ </body>
17
+ </html>
18
+ </xsl:template>
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+
20
+ <xsl:template match="feature">
21
+ <!--<xsl:value-of select="@id" />-->
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+ <xsl:apply-templates select="coordinate" />
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+
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+ </xsl:template>
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+
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+ <xsl:template match="coordinate">
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+ <xsl:value-of select="@rt" /><xsl:text> </xsl:text>
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+ <xsl:value-of select="@mz" /><xsl:text> </xsl:text>
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+ <xsl:value-of select="@intensity" /><xsl:text> </xsl:text>
30
+ <xsl:value-of select="@charge" /><xsl:text> </xsl:text>
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+ <xsl:value-of select="@mass" /><br/>
32
+ </xsl:template>
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+
34
+ <xsl:template match="software">
35
+ <xsl:text>#</xsl:text>
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+ <xsl:value-of select="@name" /><xsl:text> (</xsl:text>
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+ <xsl:value-of select="@version" /><xsl:text>) - </xsl:text>
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+ <xsl:value-of select="@type" />
39
+ </xsl:template>
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+
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+
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+
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+ </xsl:stylesheet>
@@ -0,0 +1,76 @@
1
+ <?xml version="1.0" encoding="utf-8"?>
2
+ <xsl:stylesheet xmlns:xsl="http://www.w3.org/1999/XSL/Transform" version="1.0">
3
+ <xsl:template match="consensusXML">
4
+ <html>
5
+ <body>
6
+ <xsl:apply-templates select="mapList"/>
7
+ <br/>
8
+ <b>Consensus elements:</b>
9
+ <table border="1" align="center" style="border-style:solid; border-collapse:collapse;" width="100%" cellpadding="2">
10
+ <tr>
11
+ <th><nobr></nobr></th>
12
+ <th><nobr>RT</nobr></th>
13
+ <th><nobr>MZ</nobr></th>
14
+ <th><nobr>Intensity</nobr></th>
15
+ <th><nobr>Quality</nobr></th>
16
+ <th><nobr>Map Id</nobr></th>
17
+ <th><nobr>Element Id</nobr></th>
18
+ </tr>
19
+ <xsl:apply-templates select="consensusElementList/consensusElement"/>
20
+ </table>
21
+ </body>
22
+ </html>
23
+ </xsl:template>
24
+
25
+ <xsl:template match="mapList">
26
+ <b>Source map list:</b>
27
+ <table border="1" style="border-style:solid; border-collapse:collapse;" cellpadding="2">
28
+ <tr>
29
+ <th><nobr>Map Id</nobr></th>
30
+ <th><nobr>File name</nobr></th>
31
+ <th><nobr>Label</nobr></th>
32
+ <th><nobr>Size</nobr></th>
33
+ </tr>
34
+ <xsl:apply-templates select="map"/>
35
+ </table>
36
+ </xsl:template>
37
+
38
+ <xsl:template match="map">
39
+ <tr>
40
+ <td align="center"><xsl:value-of select="@id"/></td>
41
+ <td align="center"><xsl:value-of select="@name"/></td>
42
+ <td align="center"><xsl:value-of select="@label"/></td>
43
+ <td align="center"><xsl:value-of select="@size"/></td>
44
+ </tr>
45
+ </xsl:template>
46
+
47
+ <xsl:template match="consensusElement">
48
+ <tr>
49
+ <td align="center"><b><nobr>Consensus element <xsl:value-of select="position()"/></nobr></b></td>
50
+ <td align="center"><b><xsl:value-of select="centroid/@rt"/></b></td>
51
+ <td align="center"><b><xsl:value-of select="centroid/@mz"/></b></td>
52
+ <td align="center"><b><xsl:value-of select="centroid/@it"/></b></td>
53
+ <td align="center"><b><xsl:value-of select="@quality"/></b></td>
54
+ <td align="center"><b></b></td>
55
+ <td align="center"><b></b></td>
56
+ </tr>
57
+ <xsl:apply-templates select="groupedElementList/element">
58
+ <xsl:sort select="@map" data-type="number" order="ascending"/>
59
+ </xsl:apply-templates>
60
+ </xsl:template>
61
+
62
+ <xsl:template match="element">
63
+ <tr>
64
+ <td align="center"></td>
65
+ <td align="center"><xsl:value-of select="@rt"/></td>
66
+ <td align="center"><xsl:value-of select="@mz"/></td>
67
+ <td align="center"><xsl:value-of select="@it"/></td>
68
+ <td align="center"></td>
69
+ <td align="center"><xsl:value-of select="@map"/></td>
70
+ <td align="center"><xsl:value-of select="@id"/></td>
71
+ </tr>
72
+ </xsl:template>
73
+
74
+ </xsl:stylesheet>
75
+
76
+