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<knimeNode icon="generic_node.png" type="Manipulator">
    <name>FeatureFinderMultiplex</name>
    
    <shortDescription>
        Determination of peak ratios in LC-MS data
    </shortDescription>
    
    <fullDescription>
        <intro><p>Determination of peak ratios in LC-MS data</p>
		<p>
			<a href="http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_FeatureFinderMultiplex.html">Web Documentation for FeatureFinderMultiplex</a>
		</p>

        </intro>
        
		<option name="version">Version of the tool that generated this parameters file.</option>
		<option name="log">Name of log file (created only when specified)</option>
		<option name="debug">Sets the debug level</option>
		<option name="threads">Sets the number of threads allowed to be used by the TOPP tool</option>
		<option name="no_progress">Disables progress logging to command line</option>
		<option name="force">Overwrite tool specific checks.</option>
		<option name="test">Enables the test mode (needed for internal use only)</option>
		<option name="labels">Labels used for labelling the samples. [...] specifies the labels for a single sample. For example

[][Lys8,Arg10]        ... SILAC
[][Lys4,Arg6][Lys8,Arg10]        ... triple-SILAC
[Dimethyl0][Dimethyl6]        ... Dimethyl
[Dimethyl0][Dimethyl4][Dimethyl8]        ... triple Dimethyl
[ICPL0][ICPL4][ICPL6][ICPL10]        ... ICPL</option>
		<option name="charge">Range of charge states in the sample, i.e. min charge : max charge.</option>
		<option name="isotopes_per_peptide">Range of isotopes per peptide in the sample. For example 3:6, if isotopic peptide patterns in the sample consist of either three, four, five or six isotopic peaks. </option>
		<option name="rt_typical">Typical retention time [s] over which a characteristic peptide elutes. (This is not an upper bound. Peptides that elute for longer will be reported.)</option>
		<option name="rt_min">Lower bound for the retention time [s]. (Any peptides seen for a shorter time period are not reported.)</option>
		<option name="mz_tolerance">m/z tolerance for search of peak patterns.</option>
		<option name="mz_unit">Unit of the 'mz_tolerance' parameter.</option>
		<option name="intensity_cutoff">Lower bound for the intensity of isotopic peaks.</option>
		<option name="peptide_similarity">Two peptides in a multiplet are expected to have the same isotopic pattern. This parameter is a lower bound on their similarity.</option>
		<option name="averagine_similarity">The isotopic pattern of a peptide should resemble the averagine model at this m/z position. This parameter is a lower bound on similarity between measured isotopic pattern and the averagine model.</option>
		<option name="averagine_similarity_scaling">Let x denote this scaling factor, and p the averagine similarity parameter. For the detection of single peptides, the averagine parameter p is replaced by p' = p + x(1-p), i.e. x = 0 -&gt; p' = p and x = 1 -&gt; p' = 1. (For knock_out = true, peptide doublets and singlets are detected simulataneously. For singlets, the peptide similarity filter is irreleavant. In order to compensate for this 'missing filter', the averagine parameter p is replaced by the more restrictive p' when searching for singlets.)</option>
		<option name="missed_cleavages">Maximum number of missed cleavages due to incomplete digestion. (Only relevant if enzymatic cutting site coincides with labelling site. For example, Arg/Lys in the case of trypsin digestion and SILAC labelling.)</option>
		<option name="knock_out">Is it likely that knock-outs are present? (Supported for doublex, triplex and quadruplex experiments only.)</option>
		<option name="averagine_type">The type of averagine to use, currently RNA, DNA or peptide</option>
		<option name="Arg6">Label:13C(6)  |  C(-6) 13C(6)  |  unimod #188</option>
		<option name="Arg10">Label:13C(6)15N(4)  |  C(-6) 13C(6) N(-4) 15N(4)  |  unimod #267</option>
		<option name="Lys4">Label:2H(4)  |  H(-4) 2H(4)  |  unimod #481</option>
		<option name="Lys6">Label:13C(6)  |  C(-6) 13C(6)  |  unimod #188</option>
		<option name="Lys8">Label:13C(6)15N(2)  |  C(-6) 13C(6) N(-2) 15N(2)  |  unimod #259</option>
		<option name="Leu3">Label:2H(3)  |  H(-3) 2H(3)  |  unimod #262</option>
		<option name="Dimethyl0">Dimethyl  |  H(4) C(2)  |  unimod #36</option>
		<option name="Dimethyl4">Dimethyl:2H(4)  |  2H(4) C(2)  |  unimod #199</option>
		<option name="Dimethyl6">Dimethyl:2H(4)13C(2)  |  2H(4) 13C(2)  |  unimod #510</option>
		<option name="Dimethyl8">Dimethyl:2H(6)13C(2)  |  H(-2) 2H(6) 13C(2)  |  unimod #330</option>
		<option name="ICPL0">ICPL  |  H(3) C(6) N O  |  unimod #365</option>
		<option name="ICPL4">ICPL:2H(4)  |  H(-1) 2H(4) C(6) N O  |  unimod #687</option>
		<option name="ICPL6">ICPL:13C(6)  |  H(3) 13C(6) N O  |  unimod #364</option>
		<option name="ICPL10">ICPL:13C(6)2H(4)  |  H(-1) 2H(4) 13C(6) N O  |  unimod #866</option>

    </fullDescription>
    
    <ports>
		<inPort index="0" name="in [mzML]">LC-MS dataset in centroid or profile mode [mzML]</inPort>
		<outPort index="0" name="out [consensusXML,Inactive]">Set of all identified peptide groups (i.e. peptide pairs or triplets or singlets or ..). The m/z-RT positions correspond to the lightest peptide in each group. [consensusXML,Inactive]</outPort>
		<outPort index="1" name="out_features [featureXML,Inactive]">Optional output file containing the individual peptide features in 'out'. [featureXML,Inactive]</outPort>
		<outPort index="2" name="out_mzq [mzq,Inactive]">Optional output file of MzQuantML. [mzq,Inactive]</outPort>
 </ports>
    <views>
        <view index="0" name="FeatureFinderMultiplex Std Output">The text sent to standard out during the execution of FeatureFinderMultiplex.</view>
        <view index="1" name="FeatureFinderMultiplex Error Output">The text sent to standard error during the execution of FeatureFinderMultiplex. (If it appears in gray, it's the output of a previously failing run which is preserved for your trouble shooting.)</view>
    </views>    
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