| Previous changeset 9:5590b80e6e13 (2016-07-04) Next changeset 11:91311aa08cdc (2017-01-30) |
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Commit message:
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit ec6f0c17bb277ea34f898d96d12d3357220f73d4 |
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modified:
README.rst abims_xcms_xcmsSet.xml |
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removed:
test-data/Blanc04.mzXML |
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| diff -r 5590b80e6e13 -r 69eb0fc05837 README.rst --- a/README.rst Mon Jul 04 11:54:47 2016 -0400 +++ b/README.rst Wed Jul 06 17:42:15 2016 -0400 |
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| @@ -2,6 +2,10 @@ Changelog/News -------------- +**Version 2.0.9 - 06/07/2016** + +- UPGRADE: upgrate the xcms version from 1.44.0 to 1.46.0 + **Version 2.0.8 - 06/04/2016** - TEST: refactoring to pass planemo test using conda dependencies |
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| diff -r 5590b80e6e13 -r 69eb0fc05837 abims_xcms_xcmsSet.xml --- a/abims_xcms_xcmsSet.xml Mon Jul 04 11:54:47 2016 -0400 +++ b/abims_xcms_xcmsSet.xml Wed Jul 06 17:42:15 2016 -0400 |
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| @@ -1,4 +1,4 @@ -<tool id="abims_xcms_xcmsSet" name="xcms.xcmsSet" version="2.0.8"> +<tool id="abims_xcms_xcmsSet" name="xcms.xcmsSet" version="2.0.9"> <description>Filtration and Peak Identification using xcmsSet function from xcms R package to preprocess LC/MS data for relative quantification and statistical analysis </description> @@ -475,6 +475,10 @@ Changelog/News -------------- +**Version 2.0.9 - 06/07/2016** + +- UPGRADE: upgrate the xcms version from 1.44.0 to 1.46.0 + **Version 2.0.8 - 06/04/2016** - TEST: refactoring to pass planemo test using conda dependencies |
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| diff -r 5590b80e6e13 -r 69eb0fc05837 test-data/Blanc04.mzXML --- a/test-data/Blanc04.mzXML Mon Jul 04 11:54:47 2016 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 |
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| b'@@ -1,40656 +0,0 @@\n-<?xml version="1.0" encoding="ISO-8859-1"?>\n-<mzXML xmlns="http://sashimi.sourceforge.net/schema_revision/mzXML_3.2"\n- xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"\n- xsi:schemaLocation="http://sashimi.sourceforge.net/schema_revision/mzXML_3.2 http://sashimi.sourceforge.net/schema_revision/mzXML_3.2/mzXML_idx_3.2.xsd">\n- <msRun scanCount="2031" startTime="PT0.7258S" endTime="PT1139.7S">\n- <parentFile fileName="file://Y:/439020_Metabolomic database/Etienne/sacuri-rawToCentroid/Blanc04.RAW"\n- fileType="RAWData"\n- fileSha1="f556a3dff97784077240ef45afd63d28cf8d18d0"/>\n- <msInstrument id="IC1">\n- <msManufacturer category="msManufacturer" value="Thermo Scientific"/>\n- <msModel category="msModel" value="LTQ Orbitrap Discovery"/>\n- <msIonisation category="msIonisation" value="electrospray ionization"/>\n- <msMassAnalyzer category="msMassAnalyzer" value="orbitrap"/>\n- <msDetector category="msDetector" value="inductive detector"/>\n- <software type="acquisition" name="Xcalibur" version="2.4 SP1"/>\n- </msInstrument>\n- <msInstrument id="IC2">\n- <msManufacturer category="msManufacturer" value="Thermo Scientific"/>\n- <msModel category="msModel" value="LTQ Orbitrap Discovery"/>\n- <msIonisation category="msIonisation" value="electrospray ionization"/>\n- <msMassAnalyzer category="msMassAnalyzer" value="radial ejection linear ion trap"/>\n- <msDetector category="msDetector" value="electron multiplier"/>\n- <software type="acquisition" name="Xcalibur" version="2.4 SP1"/>\n- </msInstrument>\n- <dataProcessing centroided="1">\n- <software type="conversion" name="ProteoWizard" version="2.2.3214"/>\n- <processingOperation name="Conversion to mzML"/>\n- <software type="processing" name="ProteoWizard" version="2.2.3214"/>\n- <comment>Thermo/Xcalibur peak picking</comment>\n- </dataProcessing>\n- <scan num="1"\n- scanEvent="1"\n- scanType="FULL"\n- centroided="1"\n- msLevel="1"\n- peaksCount="319"\n- polarity="-"\n- retentionTime="PT0.7258S"\n- lowMz="50.045391082764"\n- highMz="988.520263671875"\n- basePeakMz="91.003479003906"\n- basePeakIntensity="4.8688715e06"\n- totIonCurrent="8.552763e06"\n- msInstrumentID="IC1">\n- <peaks compressedLen="0"\n- precision="32"\n- byteOrder="network"\n- pairOrder="m/z-int">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'..b'>\n- 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