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            <file>L:\MS_data\Corinna_Brungs\pluskal_mce\20220601_mzml_mce_bioactive_positive\20220613_100AGC_60000Res_pluskal_mce_1D3_L4_id.mzML</file>
            <file>L:\MS_data\Corinna_Brungs\pluskal_mce\20220601_mzml_mce_bioactive_positive\20220613_100AGC_60000Res_pluskal_mce_1D3_L5_id.mzML</file>
            <file>L:\MS_data\Corinna_Brungs\pluskal_mce\20220601_mzml_mce_bioactive_positive\20220613_100AGC_60000Res_pluskal_mce_1D3_L6_id.mzML</file>
            <file>L:\MS_data\Corinna_Brungs\pluskal_mce\20220601_mzml_mce_bioactive_positive\20220613_100AGC_60000Res_pluskal_mce_1D3_L7_id.mzML</file>
            <file>L:\MS_data\Corinna_Brungs\pluskal_mce\20220601_mzml_mce_bioactive_positive\20220613_100AGC_60000Res_pluskal_mce_1D3_L8_id.mzML</file>
            <file>L:\MS_data\Corinna_Brungs\pluskal_mce\20220601_mzml_mce_bioactive_positive\20220613_100AGC_60000Res_pluskal_mce_1D3_L9_id.mzML</file>
            <file>L:\MS_data\Corinna_Brungs\pluskal_mce\20220601_mzml_mce_bioactive_positive\20220613_100AGC_60000Res_pluskal_mce_1D3_L10_id.mzML</file>
            <file>L:\MS_data\Corinna_Brungs\pluskal_mce\20220601_mzml_mce_bioactive_positive\20220613_100AGC_60000Res_pluskal_mce_1D3_L11_id.mzML</file>
            <file>L:\MS_data\Corinna_Brungs\pluskal_mce\20220601_mzml_mce_bioactive_positive\20220613_100AGC_60000Res_pluskal_mce_1D3_L12_id.mzML</file>
            <file>L:\MS_data\Corinna_Brungs\pluskal_mce\20220601_mzml_mce_bioactive_positive\20220613_100AGC_60000Res_pluskal_mce_1D3_L13_id.mzML</file>
            <file>L:\MS_data\Corinna_Brungs\pluskal_mce\20220601_mzml_mce_bioactive_positive\20220613_100AGC_60000Res_pluskal_mce_1D3_L14_id.mzML</file>
            <file>L:\MS_data\Corinna_Brungs\pluskal_mce\20220601_mzml_mce_bioactive_positive\20220613_100AGC_60000Res_pluskal_mce_1D3_L15_id.mzML</file>
            <file>L:\MS_data\Corinna_Brungs\pluskal_mce\20220601_mzml_mce_bioactive_positive\20220613_100AGC_60000Res_pluskal_mce_1D3_L16_id.mzML</file>
            <file>L:\MS_data\Corinna_Brungs\pluskal_mce\20220601_mzml_mce_bioactive_positive\20220613_100AGC_60000Res_pluskal_mce_1D3_L17_id.mzML</file>
            <file>L:\MS_data\Corinna_Brungs\pluskal_mce\20220601_mzml_mce_bioactive_positive\20220613_100AGC_60000Res_pluskal_mce_1D3_L18_id.mzML</file>
            <file>L:\MS_data\Corinna_Brungs\pluskal_mce\20220601_mzml_mce_bioactive_positive\20220613_100AGC_60000Res_pluskal_mce_1D3_L19_id.mzML</file>
            <file>L:\MS_data\Corinna_Brungs\pluskal_mce\20220601_mzml_mce_bioactive_positive\20231120_09_pluskal_mce_1D1_A1_id_2ul.mzML</file>
            <file>L:\MS_data\Corinna_Brungs\pluskal_mce\20220601_mzml_mce_bioactive_positive\20231120_09_pluskal_mce_1D1_A20_id_2ul.mzML</file>
            <file>L:\MS_data\Corinna_Brungs\pluskal_mce\20220601_mzml_mce_bioactive_positive\20231120_09_pluskal_mce_1D1_A20_id_iso_4_2ul.mzML</file>
            <file>L:\MS_data\Corinna_Brungs\pluskal_mce\20220601_mzml_mce_bioactive_positive\20231120_33_pluskal_mce_1D1_A10_id_2ul.mzML</file>
            <file>L:\MS_data\Corinna_Brungs\pluskal_mce\20220601_mzml_mce_bioactive_positive\20231120_34_pluskal_mce_1D1_A20_id_2ul.mzML</file>
        </parameter>
        <parameter name="Advanced import" selected="false">
            <parameter name="Scan filters" selected="false">
                <parameter name="Scan number"/>
                <parameter name="Base Filtering Integer"/>
                <parameter name="Retention time"/>
                <parameter name="Mobility"/>
                <parameter name="MS level filter" selected="All MS levels">1</parameter>
                <parameter name="Scan definition"/>
                <parameter name="Polarity">Any</parameter>
                <parameter name="Spectrum type">ANY</parameter>
            </parameter>
            <parameter name="Crop MS1 m/z" selected="false"/>
            <parameter name="MS1 detector (Advanced)" selected="false" selected_item="Centroid">
                <module name="Factor of lowest signal">
                    <parameter name="Noise factor">2.5</parameter>
                </module>
                <module name="Auto">
                    <parameter name="Noise level">1000.0</parameter>
                </module>
                <module name="Centroid">
                    <parameter name="Noise level">2000.0</parameter>
                </module>
                <module name="Exact mass">
                    <parameter name="Noise level">1000.0</parameter>
                </module>
                <module name="Local maxima">
                    <parameter name="Noise level"/>
                </module>
                <module name="Recursive threshold">
                    <parameter name="Noise level"/>
                    <parameter name="Min m/z peak width"/>
                    <parameter name="Max m/z peak width"/>
                </module>
                <module name="Wavelet transform">
                    <parameter name="Noise level"/>
                    <parameter name="Scale level"/>
                    <parameter name="Wavelet window size (%)"/>
                </module>
            </parameter>
            <parameter name="MS2 detector (Advanced)" selected="false" selected_item="Centroid">
                <module name="Factor of lowest signal">
                    <parameter name="Noise factor">2.5</parameter>
                </module>
                <module name="Auto">
                    <parameter name="Noise level">1000.0</parameter>
                </module>
                <module name="Centroid">
                    <parameter name="Noise level">2000.0</parameter>
                </module>
                <module name="Exact mass">
                    <parameter name="Noise level">1000.0</parameter>
                </module>
                <module name="Local maxima">
                    <parameter name="Noise level"/>
                </module>
                <module name="Recursive threshold">
                    <parameter name="Noise level"/>
                    <parameter name="Min m/z peak width"/>
                    <parameter name="Max m/z peak width"/>
                </module>
                <module name="Wavelet transform">
                    <parameter name="Noise level"/>
                    <parameter name="Scale level"/>
                    <parameter name="Wavelet window size (%)"/>
                </module>
            </parameter>
            <parameter name="Denormalize fragment scans (traps)">false</parameter>
        </parameter>
        <parameter name="Metadata file" selected="false"/>
        <parameter name="Spectral library files"/>
    </batchstep>
    <batchstep method="io.github.mzmine.modules.dataprocessing.featdet_massdetection.MassDetectionModule" parameter_version="1">
        <parameter name="Raw data files" type="BATCH_LAST_FILES"/>
        <parameter name="Scan filters" selected="false">
            <parameter name="Scan number"/>
            <parameter name="Base Filtering Integer"/>
            <parameter name="Retention time"/>
            <parameter name="Mobility"/>
            <parameter name="MS level filter" selected="All MS levels">1</parameter>
            <parameter name="Scan definition"/>
            <parameter name="Polarity">Any</parameter>
            <parameter name="Spectrum type">ANY</parameter>
        </parameter>
        <parameter name="Scan types (IMS)">All scan types</parameter>
        <parameter name="Denormalize fragment scans (traps)">true</parameter>
        <parameter name="Mass detector" selected_item="Factor of lowest signal">
            <module name="Factor of lowest signal">
                <parameter name="Noise factor">2.5</parameter>
            </module>
            <module name="Auto">
                <parameter name="Noise level">10000.0</parameter>
            </module>
            <module name="Centroid">
                <parameter name="Noise level">2000.0</parameter>
            </module>
            <module name="Exact mass">
                <parameter name="Noise level">1000.0</parameter>
            </module>
            <module name="Local maxima">
                <parameter name="Noise level"/>
            </module>
            <module name="Recursive threshold">
                <parameter name="Noise level"/>
                <parameter name="Min m/z peak width"/>
                <parameter name="Max m/z peak width"/>
            </module>
            <module name="Wavelet transform">
                <parameter name="Noise level"/>
                <parameter name="Scale level"/>
                <parameter name="Wavelet window size (%)"/>
            </module>
        </parameter>
    </batchstep>
    <batchstep method="io.github.mzmine.modules.dataprocessing.filter_scan_signals.ScanSignalRemovalModule" parameter_version="1">
        <parameter name="Raw data files" type="BATCH_LAST_FILES"/>
        <parameter name="Scan filters" selected="true">
            <parameter name="Scan number"/>
            <parameter name="Base Filtering Integer"/>
            <parameter name="Retention time"/>
            <parameter name="Mobility"/>
            <parameter name="MS level filter" selected="MSn, level ≥ 2">3</parameter>
            <parameter name="Scan definition"/>
            <parameter name="Polarity">Any</parameter>
            <parameter name="Spectrum type">ANY</parameter>
        </parameter>
        <parameter name="Exclude m/z ranges">149.665-149.737,173.509-173.541</parameter>
    </batchstep>
    <batchstep method="io.github.mzmine.modules.dataprocessing.featdet_msn_tree.MsnTreeFeatureDetectionModule" parameter_version="1">
        <parameter name="Raw data files" type="BATCH_LAST_FILES"/>
        <parameter name="EIC scans" selected="true">
            <parameter name="Scan number"/>
            <parameter name="Base Filtering Integer"/>
            <parameter name="Retention time"/>
            <parameter name="Mobility"/>
            <parameter name="MS level filter" selected="MS1, level = 1">1</parameter>
            <parameter name="Scan definition"/>
            <parameter name="Polarity">Any</parameter>
            <parameter name="Spectrum type">ANY</parameter>
        </parameter>
        <parameter name="m/z tolerance (scan-to-scan)">
            <absolutetolerance>0.004</absolutetolerance>
            <ppmtolerance>10.0</ppmtolerance>
        </parameter>
        <parameter name="Suffix">msn trees</parameter>
    </batchstep>
    <batchstep method="io.github.mzmine.modules.dataprocessing.id_localcsvsearch.LocalCSVDatabaseSearchModule" parameter_version="1">
        <parameter name="Feature lists" type="BATCH_LAST_FEATURELISTS"/>
        <parameter name="Database file">
            <current_file>D:\Corinna\metadata\mcebio_cleaned.tsv</current_file>
            <last_file>D:\Corinna\metadata\mcebio_cleaned.tsv</last_file>
        </parameter>
        <parameter name="Field separator">\t</parameter>
        <parameter name="Columns">
            <importtype column="monoisotopic_mass" datatype="io.github.mzmine.datamodel.features.types.numbers.NeutralMassType" selected="true"/>
            <importtype column="mz" datatype="io.github.mzmine.datamodel.features.types.numbers.PrecursorMZType" selected="false"/>
            <importtype column="rt" datatype="io.github.mzmine.datamodel.features.types.numbers.RTType" selected="false"/>
            <importtype column="formula" datatype="io.github.mzmine.datamodel.features.types.annotations.formula.FormulaType" selected="true"/>
            <importtype column="smiles" datatype="io.github.mzmine.datamodel.features.types.annotations.SmilesStructureType" selected="true"/>
            <importtype column="inchi" datatype="io.github.mzmine.datamodel.features.types.annotations.InChIStructureType" selected="true"/>
            <importtype column="inchikey" datatype="io.github.mzmine.datamodel.features.types.annotations.InChIKeyStructureType" selected="true"/>
            <importtype column="compound_name" datatype="io.github.mzmine.datamodel.features.types.annotations.CompoundNameType" selected="true"/>
            <importtype column="CCS" datatype="io.github.mzmine.datamodel.features.types.numbers.CCSType" selected="false"/>
            <importtype column="mobility" datatype="io.github.mzmine.datamodel.features.types.numbers.MobilityType" selected="false"/>
            <importtype column="synonyms" datatype="io.github.mzmine.datamodel.features.types.annotations.CommentType" selected="false"/>
            <importtype column="adduct" datatype="io.github.mzmine.datamodel.features.types.annotations.iin.IonTypeType" selected="false"/>
            <importtype column="pubchem_cid" datatype="io.github.mzmine.modules.dataprocessing.id_localcsvsearch.PubChemIdType" selected="true"/>
            <importtype column="molecular_class" datatype="io.github.mzmine.datamodel.features.types.annotations.compounddb.MolecularClassType" selected="false"/>
        </parameter>
        <parameter name="m/z tolerance">
            <absolutetolerance>0.0015</absolutetolerance>
            <ppmtolerance>8.0</ppmtolerance>
        </parameter>
        <parameter name="Retention time tolerance" unit="MINUTES">9999999.0</parameter>
        <parameter name="Mobility time tolerance">0.01</parameter>
        <parameter name="CCS tolerance (%)">0.05</parameter>
        <parameter name="Use isotope matcher" selected="false">
            <parameter name="Isotope m/z tolerance">
                <absolutetolerance>0.005</absolutetolerance>
                <ppmtolerance>10.0</ppmtolerance>
            </parameter>
            <parameter name="Minimum isotope intensity (%)">0.05</parameter>
            <parameter name="Minimum isotope score">0.0</parameter>
        </parameter>
        <parameter name="Use adducts" selected="true">
            <parameter name="Maximum charge">1</parameter>
            <parameter name="Maximum molecules/cluster">1</parameter>
            <parameter name="Adducts">
                <adduct_type selected="false">
                    <subpart charge="-1" mass_difference="-1.007276" mol_formula="H" name="H" type="ADDUCT"/>
                </adduct_type>
                <adduct_type selected="true">
                    <subpart charge="1" mass_difference="-5.4858E-4" mol_formula="" name="e" type="ADDUCT"/>
                </adduct_type>
                <adduct_type selected="true">
                    <subpart charge="1" mass_difference="1.007276" mol_formula="H" name="H" type="ADDUCT"/>
                </adduct_type>
                <adduct_type selected="true">
                    <subpart charge="1" mass_difference="22.989218" mol_formula="Na" name="Na" type="ADDUCT"/>
                </adduct_type>
                <adduct_type selected="false">
                    <subpart charge="1" mass_difference="38.963158" mol_formula="K" name="K" type="ADDUCT"/>
                </adduct_type>
                <adduct_type selected="true">
                    <subpart charge="1" mass_difference="18.033823" mol_formula="NH4" name="NH4" type="ADDUCT"/>
                </adduct_type>
                <adduct_type selected="false">
                    <subpart charge="1" mass_difference="-5.4858E-4" mol_formula="" name="e" type="ADDUCT"/>
                    <subpart charge="1" mass_difference="-5.4858E-4" mol_formula="" name="e" type="ADDUCT"/>
                </adduct_type>
                <adduct_type selected="false">
                    <subpart charge="1" mass_difference="1.007276" mol_formula="H" name="H" type="ADDUCT"/>
                    <subpart charge="1" mass_difference="1.007276" mol_formula="H" name="H" type="ADDUCT"/>
                </adduct_type>
                <adduct_type selected="false">
                    <subpart charge="2" mass_difference="39.96149382" mol_formula="Ca" name="Ca" type="ADDUCT"/>
                </adduct_type>
                <adduct_type selected="false">
                    <subpart charge="2" mass_difference="55.93384" mol_formula="Fe" name="Fe" type="ADDUCT"/>
                </adduct_type>
                <adduct_type selected="false">
                    <subpart charge="2" mass_difference="47.96953482" mol_formula="Mg" name="Mg" type="ADDUCT"/>
                </adduct_type>
                <adduct_type selected="false">
                    <subpart charge="1" mass_difference="1.007276" mol_formula="H" name="H" type="ADDUCT"/>
                    <subpart charge="1" mass_difference="22.989218" mol_formula="Na" name="Na" type="ADDUCT"/>
                </adduct_type>
                <adduct_type selected="false">
                    <subpart charge="1" mass_difference="1.007276" mol_formula="H" name="H" type="ADDUCT"/>
                    <subpart charge="1" mass_difference="18.033823" mol_formula="NH4" name="NH4" type="ADDUCT"/>
                </adduct_type>
                <adduct_type selected="false">
                    <subpart charge="1" mass_difference="1.007276" mol_formula="H" name="H" type="ADDUCT"/>
                    <subpart charge="1" mass_difference="38.963158" mol_formula="K" name="K" type="ADDUCT"/>
                </adduct_type>
                <adduct_type selected="false">
                    <subpart charge="-1" mass_difference="-1.007276" mol_formula="H" name="H" type="ADDUCT"/>
                    <subpart charge="1" mass_difference="22.989218" mol_formula="Na" name="Na" type="ADDUCT"/>
                    <subpart charge="1" mass_difference="22.989218" mol_formula="Na" name="Na" type="ADDUCT"/>
                </adduct_type>
                <adduct_type selected="false">
                    <subpart charge="2" mass_difference="39.96149382" mol_formula="Ca" name="Ca" type="ADDUCT"/>
                    <subpart charge="-1" mass_difference="-1.007276" mol_formula="H" name="H" type="ADDUCT"/>
                </adduct_type>
                <adduct_type selected="false">
                    <subpart charge="2" mass_difference="55.93384" mol_formula="Fe" name="Fe" type="ADDUCT"/>
                    <subpart charge="-1" mass_difference="-1.007276" mol_formula="H" name="H" type="ADDUCT"/>
                </adduct_type>
                <adduct_type selected="true">
                    <subpart charge="1" mass_difference="0.0" mol_formula="" name="e" type="ADDUCT"/>
                </adduct_type>
                <adduct_type selected="false">
                    <subpart charge="-1" mass_difference="-1.007276" mol_formula="H" name="H" type="ADDUCT"/>
                    <subpart charge="2" mass_difference="47.96953482" mol_formula="Mg" name="Mg" type="ADDUCT"/>
                </adduct_type>
                <adduct_type selected="false">
                    <subpart charge="0" mass_difference="-18.01056" mol_formula="" name="H2O" type="ADDUCT"/>
                </adduct_type>
                <adduct_type selected="true">
                    <subpart charge="0" mass_difference="-18.01056" mol_formula="" name="H2O" type="ADDUCT"/>
                    <subpart charge="1" mass_difference="-5.4858E-4" mol_formula="" name="e" type="ADDUCT"/>
                </adduct_type>
                <adduct_type selected="true">
                    <subpart charge="1" mass_difference="1.007276" mol_formula="H" name="H" type="ADDUCT"/>
                    <subpart charge="0" mass_difference="-18.01056" mol_formula="" name="H2O" type="ADDUCT"/>
                </adduct_type>
                <adduct_type selected="true">
                    <subpart charge="1" mass_difference="1.007276" mol_formula="H" name="H" type="ADDUCT"/>
                    <subpart charge="0" mass_difference="-18.01056" mol_formula="" name="H2O" type="ADDUCT"/>
                    <subpart charge="0" mass_difference="-18.01056" mol_formula="" name="H2O" type="ADDUCT"/>
                </adduct_type>
                <modification_type selected="false">
                    <subpart charge="0" mass_difference="-18.010565" mol_formula="H2O" name="H2O" type="NEUTRAL_LOSS"/>
                </modification_type>
                <modification_type selected="false">
                    <subpart charge="0" mass_difference="-18.010565" mol_formula="H2O" name="H2O" type="NEUTRAL_LOSS"/>
                    <subpart charge="0" mass_difference="-18.010565" mol_formula="H2O" name="H2O" type="NEUTRAL_LOSS"/>
                </modification_type>
                <modification_type selected="false">
                    <subpart charge="0" mass_difference="-18.010565" mol_formula="H2O" name="H2O" type="NEUTRAL_LOSS"/>
                    <subpart charge="0" mass_difference="-18.010565" mol_formula="H2O" name="H2O" type="NEUTRAL_LOSS"/>
                    <subpart charge="0" mass_difference="-18.010565" mol_formula="H2O" name="H2O" type="NEUTRAL_LOSS"/>
                </modification_type>
                <modification_type selected="false">
                    <subpart charge="0" mass_difference="-18.010565" mol_formula="H2O" name="H2O" type="NEUTRAL_LOSS"/>
                    <subpart charge="0" mass_difference="-18.010565" mol_formula="H2O" name="H2O" type="NEUTRAL_LOSS"/>
                    <subpart charge="0" mass_difference="-18.010565" mol_formula="H2O" name="H2O" type="NEUTRAL_LOSS"/>
                    <subpart charge="0" mass_difference="-18.010565" mol_formula="H2O" name="H2O" type="NEUTRAL_LOSS"/>
                </modification_type>
                <modification_type selected="false">
                    <subpart charge="0" mass_difference="-18.010565" mol_formula="H2O" name="H2O" type="NEUTRAL_LOSS"/>
                    <subpart charge="0" mass_difference="-18.010565" mol_formula="H2O" name="H2O" type="NEUTRAL_LOSS"/>
                    <subpart charge="0" mass_difference="-18.010565" mol_formula="H2O" name="H2O" type="NEUTRAL_LOSS"/>
                    <subpart charge="0" mass_difference="-18.010565" mol_formula="H2O" name="H2O" type="NEUTRAL_LOSS"/>
                    <subpart charge="0" mass_difference="-18.010565" mol_formula="H2O" name="H2O" type="NEUTRAL_LOSS"/>
                </modification_type>
                <modification_type selected="false">
                    <subpart charge="0" mass_difference="-17.026549" mol_formula="NH3" name="NH3" type="NEUTRAL_LOSS"/>
                </modification_type>
                <modification_type selected="false">
                    <subpart charge="0" mass_difference="15.99491462" mol_formula="O" name="O" type="CLUSTER"/>
                </modification_type>
                <modification_type selected="false">
                    <subpart charge="0" mass_difference="-27.994915" mol_formula="CO" name="CO" type="NEUTRAL_LOSS"/>
                </modification_type>
                <modification_type selected="false">
                    <subpart charge="0" mass_difference="-43.989829" mol_formula="CO2" name="CO2" type="NEUTRAL_LOSS"/>
                </modification_type>
                <modification_type selected="false">
                    <subpart charge="0" mass_difference="-28.031301" mol_formula="C2H4" name="C2H4" type="NEUTRAL_LOSS"/>
                </modification_type>
                <modification_type selected="false">
                    <subpart charge="0" mass_difference="46.005479" mol_formula="CHOOH" name="HFA" type="CLUSTER"/>
                </modification_type>
                <modification_type selected="false">
                    <subpart charge="0" mass_difference="60.021129" mol_formula="CH3COOH" name="HAc" type="CLUSTER"/>
                </modification_type>
                <modification_type selected="false">
                    <subpart charge="0" mass_difference="32.026215" mol_formula="CH3OH" name="MeOH" type="CLUSTER"/>
                </modification_type>
                <modification_type selected="false">
                    <subpart charge="0" mass_difference="41.026549" mol_formula="CH3CN" name="ACN" type="CLUSTER"/>
                </modification_type>
                <modification_type selected="false">
                    <subpart charge="0" mass_difference="60.058064" mol_formula="C3H8O" name="IsoProp" type="CLUSTER"/>
                </modification_type>
            </parameter>
        </parameter>
        <parameter name="Filter filename header" selected="true">unique_sample_id</parameter>
        <parameter name="Append comment fields"/>
    </batchstep>
    <batchstep method="io.github.mzmine.modules.io.spectraldbsubmit.batch.LibraryBatchGenerationModule" parameter_version="1">
        <parameter name="Feature lists" type="BATCH_LAST_FEATURELISTS"/>
        <parameter name="Export file">
            <current_file>D:\Corinna\MSn_library\20241003_mcebio_pos_ms2</current_file>
            <last_file>D:\Corinna\MSn_library\20241003_mcebio_pos_ms2</last_file>
        </parameter>
        <parameter name="Export format">mgf</parameter>
        <parameter name="MS level filter" selected="MS2, level = 2">3</parameter>
        <parameter name="Metadata">
            <parameter name="description">MCEBIO</parameter>
            <parameter name="Dataset ID">MSV000094528</parameter>
            <parameter name="INSTRUMENT_NAME">Orbitrap ID-X</parameter>
            <parameter name="INSTRUMENT">Orbitrap</parameter>
            <parameter name="Ion mobility">none</parameter>
            <parameter name="IONSOURCE">ESI</parameter>
            <parameter name="ACQUISITION">Commercial</parameter>
            <parameter name="PI">Tomas Pluskal</parameter>
            <parameter name="DATACOLLECTOR">Corinna Brungs</parameter>
            <parameter name="IONMODE" selected="false">Positive</parameter>
        </parameter>
        <parameter name="m/z tolerance (merging)" selected="true">
            <absolutetolerance>0.002</absolutetolerance>
            <ppmtolerance>10.0</ppmtolerance>
        </parameter>
        <parameter name="Handle chimeric spectra" selected="true">
            <parameter name="Target ion m/z tolerance">
                <absolutetolerance>0.002</absolutetolerance>
                <ppmtolerance>10.0</ppmtolerance>
            </parameter>
            <parameter name="Precursor m/z isolation tolerance">
                <absolutetolerance>0.6</absolutetolerance>
                <ppmtolerance>5.0</ppmtolerance>
            </parameter>
            <parameter name="Minimum precursor purity (%)">0.75</parameter>
            <parameter name="Chimeric spectra">flag</parameter>
        </parameter>
        <parameter name="Quality parameters">
            <parameter name="Minimum number of signals" selected="true">2</parameter>
            <parameter name="Minimum explained signals (%)" selected="false">0.2</parameter>
            <parameter name="Minimum explained intensity (%)" selected="false">0.35</parameter>
            <parameter name="Formula m/z tolerance">
                <absolutetolerance>0.002</absolutetolerance>
                <ppmtolerance>10.0</ppmtolerance>
            </parameter>
            <parameter name="Export explained signals only">false</parameter>
            <parameter name="Match compound and feature list name">false</parameter>
        </parameter>
    </batchstep>
    <batchstep method="io.github.mzmine.modules.io.spectraldbsubmit.batch.LibraryBatchGenerationModule" parameter_version="1">
        <parameter name="Feature lists" type="BATCH_LAST_FEATURELISTS"/>
        <parameter name="Export file">
            <current_file>D:\Corinna\MSn_library\20241003_mcebio_pos_msn</current_file>
        </parameter>
        <parameter name="Export format">mgf</parameter>
        <parameter name="MS level filter" selected="MSn, level ≥ 2">3</parameter>
        <parameter name="Metadata">
            <parameter name="description">MCEBIO</parameter>
            <parameter name="Dataset ID">MSV000094528</parameter>
            <parameter name="INSTRUMENT_NAME">Orbitrap ID-X</parameter>
            <parameter name="INSTRUMENT">Orbitrap</parameter>
            <parameter name="Ion mobility">none</parameter>
            <parameter name="IONSOURCE">ESI</parameter>
            <parameter name="ACQUISITION">Commercial</parameter>
            <parameter name="PI">Tomas Pluskal</parameter>
            <parameter name="DATACOLLECTOR">Corinna Brungs</parameter>
            <parameter name="IONMODE" selected="false">Positive</parameter>
        </parameter>
        <parameter name="m/z tolerance (merging)" selected="true">
            <absolutetolerance>0.002</absolutetolerance>
            <ppmtolerance>10.0</ppmtolerance>
        </parameter>
        <parameter name="Handle chimeric spectra" selected="true">
            <parameter name="Target ion m/z tolerance">
                <absolutetolerance>0.002</absolutetolerance>
                <ppmtolerance>10.0</ppmtolerance>
            </parameter>
            <parameter name="Precursor m/z isolation tolerance">
                <absolutetolerance>0.6</absolutetolerance>
                <ppmtolerance>5.0</ppmtolerance>
            </parameter>
            <parameter name="Minimum precursor purity (%)">0.75</parameter>
            <parameter name="Chimeric spectra">flag</parameter>
        </parameter>
        <parameter name="Quality parameters">
            <parameter name="Minimum number of signals" selected="true">2</parameter>
            <parameter name="Minimum explained signals (%)" selected="false">0.2</parameter>
            <parameter name="Minimum explained intensity (%)" selected="false">0.35</parameter>
            <parameter name="Formula m/z tolerance">
                <absolutetolerance>0.002</absolutetolerance>
                <ppmtolerance>10.0</ppmtolerance>
            </parameter>
            <parameter name="Export explained signals only">false</parameter>
            <parameter name="Match compound and feature list name">false</parameter>
        </parameter>
    </batchstep>
    <batchstep method="io.github.mzmine.modules.io.spectraldbsubmit.batch.LibraryBatchGenerationModule" parameter_version="1">
        <parameter name="Feature lists" type="BATCH_LAST_FEATURELISTS"/>
        <parameter name="Export file">
            <current_file>D:\Corinna\MSn_library\20241003_mcebio_pos_ms2</current_file>
        </parameter>
        <parameter name="Export format">MZmine json (recommended)</parameter>
        <parameter name="MS level filter" selected="MS2, level = 2">3</parameter>
        <parameter name="Metadata">
            <parameter name="description">MCEBIO</parameter>
            <parameter name="Dataset ID">MSV000094528</parameter>
            <parameter name="INSTRUMENT_NAME">Orbitrap ID-X</parameter>
            <parameter name="INSTRUMENT">Orbitrap</parameter>
            <parameter name="Ion mobility">none</parameter>
            <parameter name="IONSOURCE">ESI</parameter>
            <parameter name="ACQUISITION">Commercial</parameter>
            <parameter name="PI">Tomas Pluskal</parameter>
            <parameter name="DATACOLLECTOR">Corinna Brungs</parameter>
            <parameter name="IONMODE" selected="false">Positive</parameter>
        </parameter>
        <parameter name="m/z tolerance (merging)" selected="true">
            <absolutetolerance>0.002</absolutetolerance>
            <ppmtolerance>10.0</ppmtolerance>
        </parameter>
        <parameter name="Handle chimeric spectra" selected="true">
            <parameter name="Target ion m/z tolerance">
                <absolutetolerance>0.002</absolutetolerance>
                <ppmtolerance>10.0</ppmtolerance>
            </parameter>
            <parameter name="Precursor m/z isolation tolerance">
                <absolutetolerance>0.6</absolutetolerance>
                <ppmtolerance>5.0</ppmtolerance>
            </parameter>
            <parameter name="Minimum precursor purity (%)">0.75</parameter>
            <parameter name="Chimeric spectra">flag</parameter>
        </parameter>
        <parameter name="Quality parameters">
            <parameter name="Minimum number of signals" selected="true">2</parameter>
            <parameter name="Minimum explained signals (%)" selected="false">0.2</parameter>
            <parameter name="Minimum explained intensity (%)" selected="false">0.35</parameter>
            <parameter name="Formula m/z tolerance">
                <absolutetolerance>0.002</absolutetolerance>
                <ppmtolerance>10.0</ppmtolerance>
            </parameter>
            <parameter name="Export explained signals only">false</parameter>
            <parameter name="Match compound and feature list name">false</parameter>
        </parameter>
    </batchstep>
    <batchstep method="io.github.mzmine.modules.io.spectraldbsubmit.batch.LibraryBatchGenerationModule" parameter_version="1">
        <parameter name="Feature lists" type="BATCH_LAST_FEATURELISTS"/>
        <parameter name="Export file">
            <current_file>D:\Corinna\MSn_library\20241003_mcebio_pos_msn</current_file>
        </parameter>
        <parameter name="Export format">MZmine json (recommended)</parameter>
        <parameter name="MS level filter" selected="MSn, level ≥ 2">3</parameter>
        <parameter name="Metadata">
            <parameter name="description">MCEBIO</parameter>
            <parameter name="Dataset ID">MSV000094528</parameter>
            <parameter name="INSTRUMENT_NAME">Orbitrap ID-X</parameter>
            <parameter name="INSTRUMENT">Orbitrap</parameter>
            <parameter name="Ion mobility">none</parameter>
            <parameter name="IONSOURCE">ESI</parameter>
            <parameter name="ACQUISITION">Commercial</parameter>
            <parameter name="PI">Tomas Pluskal</parameter>
            <parameter name="DATACOLLECTOR">Corinna Brungs</parameter>
            <parameter name="IONMODE" selected="false">Positive</parameter>
        </parameter>
        <parameter name="m/z tolerance (merging)" selected="true">
            <absolutetolerance>0.002</absolutetolerance>
            <ppmtolerance>10.0</ppmtolerance>
        </parameter>
        <parameter name="Handle chimeric spectra" selected="true">
            <parameter name="Target ion m/z tolerance">
                <absolutetolerance>0.002</absolutetolerance>
                <ppmtolerance>10.0</ppmtolerance>
            </parameter>
            <parameter name="Precursor m/z isolation tolerance">
                <absolutetolerance>0.6</absolutetolerance>
                <ppmtolerance>5.0</ppmtolerance>
            </parameter>
            <parameter name="Minimum precursor purity (%)">0.75</parameter>
            <parameter name="Chimeric spectra">flag</parameter>
        </parameter>
        <parameter name="Quality parameters">
            <parameter name="Minimum number of signals" selected="true">2</parameter>
            <parameter name="Minimum explained signals (%)" selected="false">0.2</parameter>
            <parameter name="Minimum explained intensity (%)" selected="false">0.35</parameter>
            <parameter name="Formula m/z tolerance">
                <absolutetolerance>0.002</absolutetolerance>
                <ppmtolerance>10.0</ppmtolerance>
            </parameter>
            <parameter name="Export explained signals only">false</parameter>
            <parameter name="Match compound and feature list name">false</parameter>
        </parameter>
    </batchstep>
</batch>
