| Previous changeset 3:ff1148892ce3 (2018-01-26) Next changeset 5:cb346052c5de (2019-10-24) |
|
Commit message:
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/flashlfq commit 047addefbac7468a92ba4fc04899bd5136c58ea4 |
|
modified:
flashlfq.xml test-data/aggregatePSMs_5ppmAroundZero.psmtsv test-data/sliced-mzml.mzML |
| b |
| diff -r ff1148892ce3 -r 908ab13490dc flashlfq.xml --- a/flashlfq.xml Fri Jan 26 09:08:09 2018 -0500 +++ b/flashlfq.xml Wed Jan 30 05:39:17 2019 -0500 |
| [ |
| b'@@ -1,7 +1,7 @@\n-<tool id="flashlfq" name="FlashLFQ" version="0.1.100">\n+<tool id="flashlfq" name="FlashLFQ" version="0.1.111">\n <description>ultrafast label-free quantification for mass-spectrometry proteomics</description>\n <requirements>\n- <requirement type="package" version="0.1.100">flashlfq</requirement>\n+ <requirement type="package" version="0.1.111">flashlfq</requirement>\n </requirements>\n <command><![CDATA[\n #import re\n@@ -12,31 +12,36 @@\n #set $input_name = $re.sub(\'[.][^.]*$\',\'\',$peak_list.display_name.split(\'/\')[-1]) + ".mzML"\n ln -s \'${peak_list}\' \'spectrum_dir/${input_name}\' &&\n #end for\n-\n+ #if $normalize.nor == \'true\':\n+ #set $input_name = $re.sub(\'[.][^.]*$\',\'\',$experimental_design.display_name.split(\'/\')[-1]) + ".tsv"\n+ ln -s \'${experimental_design}\' \'spectrum_dir/${input_name}\' &&\n+ #end if\n FlashLFQ \n --idt \'$idt_path\'\n- --rep spectrum_dir\n+ --rep "./spectrum_dir"\n --ppm $ppm\n --iso $iso\n --nis $nis\n+ #if $normalize.nor == \'true\':\n+ --nor true\n+ #end if\n #if $intensity == \'integrate\':\n --int true\n #end if\n #if $charge == \'precursor\':\n --chg true\n #end if\n- $rmm $mbr\n- --pau false\n- && cat *_FlashLFQ_Log.txt | sed \'s/\\(Analysis summary for:\\).*working./\\1 /\' > \'$log\' \n- && cp *_FlashLFQ_QuantifiedBaseSequences.tsv \'$quantifiedBaseSequences\'\n- && cp *_FlashLFQ_QuantifiedModifiedSequences.tsv \'$quantifiedModifiedSequences\'\n+ $rmm $mbr $pro\n+ --out . > logfile.txt\n+ && cat logfile.txt | sed \'s/\\(Analysis summary for:\\).*working./\\1 /\' > \'$log\'\n+ && cp *_FlashLFQ_QuantifiedProteins.tsv \'$quantifiedProteins\'\n+ && cp *_FlashLFQ_QuantifiedPeptides.tsv \'$quantifiedPeptides\'\n && cp *_FlashLFQ_QuantifiedPeaks.tsv \'$quantifiedPeaks\'\n- ## create issue for FlashLFQ to name column headers correctly\n- && grep -v \'^test$\' *_FlashLFQ_QuantifiedProteins.tsv > \'$quantifiedProteins\'\n ]]></command>\n+\n <inputs>\n- <param name="idt" type="data" format="tabular" label="identification file" \n- help="MetaMorpheus,Morpheus"/>\n+ <param name="idt" type="data" format="tabular" label="identification file"\n+ help="MetaMorpheus,Morpheus,PeptideShaker PSM Report,MaxQuant"/>\n <param name="peak_lists" type="data" format="mzml" multiple="true" label="spectrum files"/>\n <param name="ppm" type="float" value="10" min="1" max="20" label="monoisotopic ppm tolerance"/>\n <param name="iso" type="float" value="5" min="1" max="10" label="isotopic distribution tolerance in ppm"/>\n@@ -49,37 +54,31 @@\n <option value="all" selected="true">use all identification detected charge states</option>\n <option value="precursor">use precursor charge</option>\n </param>\n- <param name="rmm" type="boolean" truevalue="--rmm true" falsevalue="--rmm false" checked="true" \n+ <param name="rmm" type="boolean" truevalue="--rmm true" falsevalue="--rmm false" checked="true"\n label="require observed monoisotopic mass peak"/>\n- <param name="mbr" type="boolean" truevalue="--mbr true" falsevalue="--mbr false" checked="false" \n+ <conditional name="normalize">\n+ <param name="nor" type="select" label="normalize intensity results">\n+ <option value="false">No</option>\n+ <option value="true">Yes</option>\n+ </param>\n+ <when value="false"/>\n+ <when value="true">\n+ <param name="experimental_design" type="data" format="tabular" label="ExperimentalDesign.tsv"/>\n+ </when>\n+ </conditional>\n+ <param name="mbr" type="boolean" truevalue="--mbr true" falsevalue="--mbr false" checked="false"\n label="match between runs"/>'..b'peak_lists])}"/>\n- </actions>\n- </data>\n- <data name="quantifiedModifiedSequences" format="tabular" label="${tool.name} on ${on_string}: QuantifiedModifiedSequences.tsv">\n- <actions>\n- <action name="column_names" type="metadata" \n- default="Sequence,Protein Group,${\',\'.join([\'Intensity_\' + i.name for i in $peak_lists])},${\',\'.join([\'Detection Type_\' + i.name for i in $peak_lists])}"/>\n- </actions>\n- </data>\n- <data name="quantifiedProteins" format="tabular" label="${tool.name} on ${on_string}: QuantifiedProteins.tsv">\n- <actions>\n- <action name="column_names" type="metadata" \n- default="Protein,${\',\'.join([i.name for i in $peak_lists])}"/>\n- </actions>\n- </data>\n+ <data name="log" format="txt" label="${tool.name} on ${on_string}: Log" />\n+ <data name="quantifiedPeaks" format="tabular" label="${tool.name} on ${on_string}: QuantifiedPeaks.tsv" />\n+ <data name="quantifiedPeptides" format="tabular" label="${tool.name} on ${on_string}: QuantifiedPeptides.tsv" />\n+ <data name="quantifiedProteins" format="tabular" label="${tool.name} on ${on_string}: QuantifiedProteins.tsv" />\n+\n </outputs>\n <tests>\n <test>\n@@ -87,10 +86,9 @@\n <param name="peak_lists" value="sliced-mzml.mzML" ftype="mzml"/>\n <param name="ppm" value="12"/>\n <param name="iso" value="6"/>\n- <output name="log">\n+ <output name="quantifiedPeaks">\n <assert_contents>\n- <has_text text="ppmTolerance = 12" />\n- <has_text text="isotopePpmTolerance = 6" />\n+ <has_text text="EGFQVADGPLYR" />\n </assert_contents>\n </output>\n </test>\n@@ -136,17 +134,15 @@\n \n **Outputs**:\n \n- - **QuantifiedProteins.tsv** - Protein intensities are summed here within a run. \n+ - **QuantifiedProteins.tsv** - Lists protein accession and in the future will include gene and organism if the TSV contains it. The intensity is either a) the sum of the 3 most intense peptides or b) (Advanced protein quant) a weighted-average of the intensities of the peptides assigned to the protein. The weights are determined by how well the peptide co-varies with the other peptides assigned to that protein.\n \n - **QuantifiedPeaks.tsv** - Each chromatographic peak is shown here, even peaks that were not quantifiable (peak intensity = 0). Details about each peak, such as number of PSMs mapped, start/apex/end retention times, ppm error, etc are contained in this file. A peptide can have multiple peaks over the course of a run (e.g., oxidized peptidoforms elute at different times, etc). Ambiguous peaks are displayed with a | (pipe) delimiter to indicate more than one peptide mapped to that peak.\n \n- - **QuantifiedModifiedSequences.tsv** - Similar to QuantifiedBaseSequences, but instead of being summed by Base Sequence, peptide intensities are summed by modified sequence; this makes it convenient to compare modified peptidoform intensities across runs.\n+ - **QuantifiedPeptides.tsv** - Peptide intensities are summed by modified sequence; this makes it convenient to compare modified peptidoform intensities across runs.\n \n- - **QuantifiedBaseSequences.tsv** - Peptide intensities are summed here within a run (including differently-modified forms of the same amino acid sequence) and displayed in a convenient format for comparing across runs. The identification type (MS/MS or MBR) is also indicated. A peptide with more than 30% of its intensity coming from ambiguous peak(s) is considered not quantifiable and is given an intensity of -1.\n+ - **Log.txt** - Log of the FlashLFQ run. \n \n \n- - **Log.txt** - Log of the FlashLFQ run. Includes timestamps and quantification time for each file, total analysis time, directories used, and settings.\n-\n \n ]]></help>\n <citations>\n' |
| b |
| diff -r ff1148892ce3 -r 908ab13490dc test-data/aggregatePSMs_5ppmAroundZero.psmtsv --- a/test-data/aggregatePSMs_5ppmAroundZero.psmtsv Fri Jan 26 09:08:09 2018 -0500 +++ b/test-data/aggregatePSMs_5ppmAroundZero.psmtsv Wed Jan 30 05:39:17 2019 -0500 |
| [ |
| @@ -1,5 +1,5 @@ -File Name Scan Number Scan Retention Time Num Experimental Peaks Total Ion Current Precursor Scan Number Precursor Charge Precursor MZ Precursor Intensity Precursor Mass Score Notch Quantification Intensity Ambiguous Matches Protein Accession Protein Name Peptide Description Start and End Residues In Protein Previous Amino Acid Next Amino Acid Base Sequence Full Sequence Variable Mods Matched Ion Counts Matched Ion Masses Localized Scores Missed Cleavages Peptide Monoisotopic Mass Decoy/Contaminant/Target Improvement Possible Mass Diff (Da) Mass Diff (ppm)Cumulative Target Cumulative Decoy QValue Cumulative Target Notch Cumulative Decoy Notch QValue Notch -sliced-raw 36 94.12193 13.00000 2929925.75000 34 2.00000 676.33484 3555206.50000 1350.65512 1.098 0.000 0 0.00000 P34223 UBX1_YEAST UBX domain-containing protein 1 full [242 to 253] K Y EGFQVADGPLYR EGFQVADGPLYR 0 0;1 [[];[604.33330];] [1.098,1.098,1.098,1.098,1.098,1.098,1.098,1.098,1.098,1.098,1.098,1.098] 0 1350.65681 T 0.000 -0.00169 -1.251201 0 0.000000 1 0 0.000000 -sliced-mzml 36 94.12193 13.00000 2929925.75000 34 2.00000 676.33484 3555188.00000 1350.65512 1.098 0.000 0 0.00000 P34223 UBX1_YEAST UBX domain-containing protein 1 full [242 to 253] K Y EGFQVADGPLYR EGFQVADGPLYR 0 0;1 [[];[604.33330];] [1.098,1.098,1.098,1.098,1.098,1.098,1.098,1.098,1.098,1.098,1.098,1.098] 0 1350.65681 T 0.000 -0.00169 -1.251202 0 0.000000 2 0 0.000000 -sliced-raw 25 94.05811 12.00000 2664486.50000 23 2.00000 676.33521 2498743.50000 1350.65586 1.094 0.000 0 0.00000 P34223 UBX1_YEAST UBX domain-containing protein 1 full [242 to 253] K Y EGFQVADGPLYR EGFQVADGPLYR 0 0;1 [[];[604.33330];] [1.094,1.094,1.094,1.094,1.094,1.094,1.094,1.094,1.094,1.094,1.094,1.094] 0 1350.65681 T 0.000 -0.00096 -0.708933 0 0.000000 3 0 0.000000 -sliced-mzml 25 94.05811 12.00000 2664486.50000 23 2.00000 676.33484 2493913.00000 1350.65512 1.094 0.000 0 0.00000 P34223 UBX1_YEAST UBX domain-containing protein 1 full [242 to 253] K Y EGFQVADGPLYR EGFQVADGPLYR 0 0;1 [[];[604.33330];] [1.094,1.094,1.094,1.094,1.094,1.094,1.094,1.094,1.094,1.094,1.094,1.094] 0 1350.65681 T 0.000 -0.00169 -1.251204 0 0.000000 4 0 0.000000 +File Name Scan Number Scan Retention Time Num Experimental Peaks Total Ion Current Precursor Scan Number Precursor Charge Precursor MZ Precursor Intensity Precursor Mass Score Notch Quantification Intensity Ambiguous Matches Protein Accession Protein Name Peptide Description Start and End Residues In Protein Previous Amino Acid Next Amino Acid Base Sequence Full Sequence Variable Mods Matched Ion Counts Matched Ion Masses Localized Scores Missed Cleavages Peptide Monoisotopic Mass Decoy/Contaminant/Target Improvement Possible Mass Diff (Da) Mass Diff (ppm)Cumulative Target Cumulative Decoy QValue Cumulative Target Notch Cumulative Decoy Notch QValue Notch +sliced-raw 36 94.12193 13.00000 2929925.75000 34 2.00000 676.33484 3555206.50000 1350.65512 1.098 0.000 0 0.00000 P34223 UBX1_YEAST UBX domain-containing protein 1 full [242 to 253] K Y EGFQVADGPLYR EGFQVADGPLYR 0 0;1 [[];[604.33330];] [1.098,1.098,1.098,1.098,1.098,1.098,1.098,1.098,1.098,1.098,1.098,1.098] 0 1350.65681 T 0.000 -0.00169 -1.251201 0 0.000000 1 0 0.000000 +sliced-mzml 36 94.12193 13.00000 2929925.75000 34 2.00000 676.33484 3555188.00000 1350.65512 1.098 0.000 0 0.00000 P34223 UBX1_YEAST UBX domain-containing protein 1 full [242 to 253] K Y EGFQVADGPLYR EGFQVADGPLYR 0 0;1 [[];[604.33330];] [1.098,1.098,1.098,1.098,1.098,1.098,1.098,1.098,1.098,1.098,1.098,1.098] 0 1350.65681 T 0.000 -0.00169 -1.251202 0 0.000000 2 0 0.000000 +sliced-raw 25 94.05811 12.00000 2664486.50000 23 2.00000 676.33521 2498743.50000 1350.65586 1.094 0.000 0 0.00000 P34223 UBX1_YEAST UBX domain-containing protein 1 full [242 to 253] K Y EGFQVADGPLYR EGFQVADGPLYR 0 0;1 [[];[604.33330];] [1.094,1.094,1.094,1.094,1.094,1.094,1.094,1.094,1.094,1.094,1.094,1.094] 0 1350.65681 T 0.000 -0.00096 -0.708933 0 0.000000 3 0 0.000000 +sliced-mzml 25 94.05811 12.00000 2664486.50000 23 2.00000 676.33484 2493913.00000 1350.65512 1.094 0.000 0 0.00000 P34223 UBX1_YEAST UBX domain-containing protein 1 full [242 to 253] K Y EGFQVADGPLYR EGFQVADGPLYR 0 0;1 [[];[604.33330];] [1.094,1.094,1.094,1.094,1.094,1.094,1.094,1.094,1.094,1.094,1.094,1.094] 0 1350.65681 T 0.000 -0.00169 -1.251204 0 0.000000 4 0 0.000000 |
| b |
| diff -r ff1148892ce3 -r 908ab13490dc test-data/sliced-mzml.mzML --- a/test-data/sliced-mzml.mzML Fri Jan 26 09:08:09 2018 -0500 +++ b/test-data/sliced-mzml.mzML Wed Jan 30 05:39:17 2019 -0500 |
| b |
| b'@@ -1,6123 +1,6123 @@\n-<?xml version="1.0" encoding="utf-8"?>\r\n-<indexedmzML xmlns="http://psi.hupo.org/ms/mzml" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://psi.hupo.org/ms/mzml http://psidev.info/files/ms/mzML/xsd/mzML1.1.2_idx.xsd">\r\n- <mzML xmlns="http://psi.hupo.org/ms/mzml" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://psi.hupo.org/ms/mzml http://psidev.info/files/ms/mzML/xsd/mzML1.1.0.xsd" id="sliced-raw" version="1.1.0">\r\n- <cvList count="2">\r\n- <cv id="MS" fullName="Proteomics Standards Initiative Mass Spectrometry Ontology" version="4.0.1" URI="http://psidev.cvs.sourceforge.net/*checkout*/psidev/psi/psi-ms/mzML/controlledVocabulary/psi-ms.obo"/>\r\n- <cv id="UO" fullName="Unit Ontology" version="12:10:2011" URI="http://obo.cvs.sourceforge.net/*checkout*/obo/obo/ontology/phenotype/unit.obo"/>\r\n- </cvList>\r\n- <fileDescription>\r\n- <fileContent>\r\n- <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/>\r\n- <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>\r\n- </fileContent>\r\n- <sourceFileList count="1">\r\n- <sourceFile id="RAW1" name="sliced-raw.raw" location="file:///C:\\Users\\rmillikin\\Documents\\Data\\Yeast">\r\n- <cvParam cvRef="MS" accession="MS:1000768" name="Thermo nativeID format" value=""/>\r\n- <cvParam cvRef="MS" accession="MS:1000563" name="Thermo RAW format" value=""/>\r\n- <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="47b7a9a4b60c07f8229910014aea4b93ee226fec"/>\r\n- </sourceFile>\r\n- </sourceFileList>\r\n- </fileDescription>\r\n- <referenceableParamGroupList count="1">\r\n- <referenceableParamGroup id="CommonInstrumentParams">\r\n- <cvParam cvRef="MS" accession="MS:1001742" name="LTQ Orbitrap Velos" value=""/>\r\n- <cvParam cvRef="MS" accession="MS:1000529" name="instrument serial number" value="SN03001B"/>\r\n- </referenceableParamGroup>\r\n- </referenceableParamGroupList>\r\n- <softwareList count="2">\r\n- <software id="Xcalibur" version="2.6.0">\r\n- <cvParam cvRef="MS" accession="MS:1000532" name="Xcalibur" value=""/>\r\n- </software>\r\n- <software id="pwiz" version="3.0.10875">\r\n- <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" value=""/>\r\n- </software>\r\n- </softwareList>\r\n- <instrumentConfigurationList count="2">\r\n- <instrumentConfiguration id="IC1">\r\n- <referenceableParamGroupRef ref="CommonInstrumentParams"/>\r\n- <componentList count="3">\r\n- <source order="1">\r\n- <cvParam cvRef="MS" accession="MS:1000398" name="nanoelectrospray" value=""/>\r\n- <cvParam cvRef="MS" accession="MS:1000485" name="nanospray inlet" value=""/>\r\n- </source>\r\n- <analyzer order="2">\r\n- <cvParam cvRef="MS" accession="MS:1000484" name="orbitrap" value=""/>\r\n- </analyzer>\r\n- <detector order="3">\r\n- <cvParam cvRef="MS" accession="MS:1000624" name="inductive detector" value=""/>\r\n- </detector>\r\n- </componentList>\r\n- <softwareRef ref="Xcalibur"/>\r\n- </instrumentConfiguration>\r\n- <instrumentConfiguration id="IC2">\r\n- <referenceableParamGroupRef ref="CommonInstrumentParams"/>\r\n- <componentList count="3">\r\n- <source order="1">\r\n- <cvParam cvRef="MS" accession="MS:1000398" name="nanoelectrospray" value=""/>\r\n- <cvParam cvRef="MS" accession="MS:1000485" name="nanospray inlet" value=""/>\r\n- </source>\r\n- <analyzer order="2">\r\n- <cvParam cvRef="MS" accession="MS:1000083" name="radial ejection linear ion trap" value=""/>\r\n- </analyzer>\r\n- <detector order="3">\r\n- <cvParam cvRef="MS" accession="MS:1000253" name="electron multiplier" value=""/>\r\n- </detector>\r\n- </componentList>\r\n- <softwareRef ref="Xca'..b'/offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=56">498704</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=57">537542</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=58">543051</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=59">548389</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=60">553862</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=61">559312</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=62">564842</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=63">570236</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=64">575637</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=65">580983</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=66">586404</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=67">591788</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=68">629259</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=69">634776</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=70">640137</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=71">645669</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=72">651127</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=73">656609</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=74">662034</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=75">667530</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=76">672916</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=77">678349</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=78">683756</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=79">718399</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=80">724044</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=81">729438</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=82">734759</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=83">740252</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=84">745671</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=85">751140</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=86">756489</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=87">761864</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=88">767281</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=89">772658</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=90">802518</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=91">807971</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=92">813831</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=93">819186</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=94">824778</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=95">830079</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=96">835649</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=97">840996</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=98">846520</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=99">851890</offset>\n+ <offset idRef="controllerType=0 controllerNumber=1 scan=100">857257</offset>\n+ </index>\n+ <index name="chromatogram">\n+ <offset idRef="TIC">889680</offset>\n+ </index>\n+ </indexList>\n+ <indexListOffset>891911</indexListOffset>\n+ <fileChecksum>06271877a4ad725a6043b27b9940a707026448dd</fileChecksum>\n+</indexedmzML>\n' |