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<knimeNode icon="generic_node.png" type="Manipulator">
    <name>PrecursorIonSelector</name>
    
    <shortDescription>
        PrecursorIonSelector
    </shortDescription>
    
    <fullDescription>
        <intro><p>PrecursorIonSelector</p>
		<p>
			<a href="http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_PrecursorIonSelector.html">Web Documentation for PrecursorIonSelector</a>
		</p>

        </intro>
        
		<option name="version">Version of the tool that generated this parameters file.</option>
		<option name="num_precursors">number of precursors to be selected</option>
		<option name="load_preprocessing">The preprocessed db is loaded from file, not calculated.</option>
		<option name="store_preprocessing">The preprocessed db is stored.</option>
		<option name="simulation">Simulate the whole LC-MS/MS run.</option>
		<option name="sim_results">File containing the results of the simulation run</option>
		<option name="rt_model">SVM Model for RTPredict</option>
		<option name="dt_model">SVM Model for PTPredict</option>
		<option name="solver">LP solver type</option>
		<option name="fixed_modifications">the modifications i.e. Carboxymethyl (C)</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="type">Strategy for precursor ion selection.</option>
		<option name="max_iteration">Maximal number of iterations.</option>
		<option name="rt_bin_capacity">Maximal number of precursors per rt bin.</option>
		<option name="step_size">Maximal number of precursors per iteration.</option>
		<option name="peptide_min_prob">Minimal peptide probability.</option>
		<option name="sequential_spectrum_order">If true, precursors are selected sequentially with respect to their RT.</option>
		<option name="min_protein_probability">Minimal protein probability for a protein to be considered in the ILP</option>
		<option name="min_protein_id_probability">Minimal protein probability for a protein to be considered identified.</option>
		<option name="min_pt_weight">Minimal pt weight of a precursor</option>
		<option name="min_mz">Minimal mz to be considered in protein based LP formulation.</option>
		<option name="max_mz">Minimal mz to be considered in protein based LP formulation.</option>
		<option name="min_pred_pep_prob">Minimal predicted peptide probability of a precursor</option>
		<option name="min_rt_weight">Minimal rt weight of a precursor</option>
		<option name="use_peptide_rule">Use peptide rule instead of minimal protein id probability</option>
		<option name="min_peptide_ids">If use_peptide_rule is true, this parameter sets the minimal number of peptide ids for a protein id</option>
		<option name="min_peptide_probability">If use_peptide_rule is true, this parameter sets the minimal probability for a peptide to be safely identified</option>
		<option name="k1">combined ilp: weight for z_i</option>
		<option name="k2">combined ilp: weight for x_j,s*int_j,s</option>
		<option name="k3">combined ilp: weight for -x_j,s*w_j,s</option>
		<option name="scale_matching_probs">flag if detectability * rt_weight shall be scaled to cover all [0,1]</option>
		<option name="no_intensity_normalization">Flag indicating if intensities shall be scaled to be in [0,1]. This is done for each feature separately, so that the feature's maximal intensity in a spectrum is set to 1.</option>
		<option name="max_number_precursors_per_feature">The maximal number of precursors per feature.</option>
		<option name="precursor_mass_tolerance">Precursor mass tolerance which is used to query the peptide database for peptides</option>
		<option name="precursor_mass_tolerance_unit">Precursor mass tolerance unit.</option>
		<option name="preprocessed_db_path">Path where the preprocessed database should be stored</option>
		<option name="preprocessed_db_pred_rt_path">Path where the predicted rts of the preprocessed database should be stored</option>
		<option name="preprocessed_db_pred_dt_path">Path where the predicted rts of the preprocessed database should be stored</option>
		<option name="max_peptides_per_run">Number of peptides for that the pt and rt are parallely predicted.</option>
		<option name="missed_cleavages">Number of allowed missed cleavages.</option>
		<option name="taxonomy">Taxonomy</option>
		<option name="tmp_dir">Absolute path to tmp data directory used to store files needed for rt and dt prediction.</option>
		<option name="store_peptide_sequences">Flag if peptide sequences should be stored.</option>
		<option name="min_rt">Minimal RT in the experiment (in seconds)</option>
		<option name="max_rt">Maximal RT in the experiment (in seconds)</option>
		<option name="rt_step_size">Time between two consecutive spectra (in seconds)</option>
		<option name="gauss_mean">mean of the gauss curve</option>
		<option name="gauss_sigma">std of the gauss curve</option>

    </fullDescription>
    
    <ports>
		<inPort index="0" name="in [featureXML]">Input feature map file (featureXML) [featureXML]</inPort>
		<inPort index="1" name="ids [idXML]">file containing results of identification [idXML]</inPort>
		<inPort index="2" name="raw_data [mzML]">Input profile data. [mzML,opt.]</inPort>
		<inPort index="3" name="db_path [fasta]">db file [fasta,opt.]</inPort>
		<outPort index="0" name="out [featureXML,Inactive]">modified feature map [featureXML,Inactive]</outPort>
		<outPort index="1" name="next_feat [featureXML,Inactive]">feature map (featureXML) file with the selected precursors [featureXML,Inactive]</outPort>
 </ports>
    <views>
        <view index="0" name="PrecursorIonSelector Std Output">The text sent to standard out during the execution of PrecursorIonSelector.</view>
        <view index="1" name="PrecursorIonSelector Error Output">The text sent to standard error during the execution of PrecursorIonSelector. (If it appears in gray, it's the output of a previously failing run which is preserved for your trouble shooting.)</view>
    </views>    
</knimeNode>
