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<!DOCTYPE knimeNode PUBLIC "-//UNIKN//DTD KNIME Node 2.0//EN" "http://www.knime.org/Node.dtd">
<knimeNode icon="generic_node.png" type="Manipulator">
    <name>MRMTransitionGroupPicker</name>
    
    <shortDescription>
        
    </shortDescription>
    
    <fullDescription>
        <intro>
		<p>
			<a href="http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/UTILS_MRMTransitionGroupPicker.html">Web Documentation for MRMTransitionGroupPicker</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="stop_after_feature">Stop finding after feature (ordered by intensity; -1 means do not stop).</option>
		<option name="stop_after_intensity_ratio">Stop after reaching intensity ratio</option>
		<option name="min_peak_width">Minimal peak width (s), discard all peaks below this value (-1 means no action).</option>
		<option name="background_subtraction">Try to apply a background subtraction to the peak (experimental). The background is estimated at the peak boundaries, either the smoothed or the raw chromatogram data can be used for that.</option>
		<option name="recalculate_peaks">Tries to get better peak picking by looking at peak consistency of all picked peaks. Tries to use the consensus (median) peak border if theof variation within the picked peaks is too large.</option>
		<option name="recalculate_peaks_max_z">Determines the maximal Z-Score (difference measured in standard deviations) that is considered too large for peak boundaries. If the Z-Score is above this value, the median is used for peak boundaries (default value 1.0).</option>
		<option name="minimal_quality">Only if compute_peak_quality is set, this parameter will not consider peaks below this quality threshold</option>
		<option name="compute_peak_quality">Tries to compute a quality value for each peakgroup and detect outlier transitions. The resulting score is centered around zero and values above 0 are generally good and below -1 or -2 are usually bad.</option>
		<option name="sgolay_frame_length">The number of subsequent data points used for smoothing.
This number has to be uneven. If it is not, 1 will be added.</option>
		<option name="sgolay_polynomial_order">Order of the polynomial that is fitted.</option>
		<option name="gauss_width">Gaussian width in seconds, estimated peak size.</option>
		<option name="use_gauss">Use Gaussian filter for smoothing (alternative is Savitzky-Golay filter)</option>
		<option name="peak_width">Force a certain minimal peak_width on the data (e.g. extend the peak at least by this amount on both sides) in seconds. -1 turns this feature off.</option>
		<option name="signal_to_noise">Signal-to-noise threshold at which a peak will not be extended any more. Note that setting this too high (e.g. 1.0) can lead to peaks whose flanks are not fully captured.</option>
		<option name="sn_win_len">Signal to noise window length.</option>
		<option name="sn_bin_count">Signal to noise bin count.</option>
		<option name="write_sn_log_messages">Write out log messages of the signal-to-noise estimator in case of sparse windows or median in rightmost histogram bin</option>
		<option name="remove_overlapping_peaks">Try to remove overlapping peaks during peak picking</option>
		<option name="method">Which method to choose for chromatographic peak-picking (OpenSWATH legacy, corrected picking or Crawdad).</option>

    </fullDescription>
    
    <ports>
		<inPort index="0" name="in [mzML]">Input file [mzML]</inPort>
		<inPort index="1" name="tr [csv,traML]">transition file ('TraML' or 'csv') [csv,traML]</inPort>
		<outPort index="0" name="out [featureXML]">output file [featureXML]</outPort>
 </ports>
    <views>
        <view index="0" name="MRMTransitionGroupPicker Std Output">The text sent to standard out during the execution of MRMTransitionGroupPicker.</view>
        <view index="1" name="MRMTransitionGroupPicker Error Output">The text sent to standard error during the execution of MRMTransitionGroupPicker. (If it appears in gray, it's the output of a previously failing run which is preserved for your trouble shooting.)</view>
    </views>    
</knimeNode>
