Mercurial > repos > galaxyp > openms
diff feature_finder_isotope_wavelet.xml @ 2:cf0d72c7b482 draft
Update.
author | galaxyp |
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date | Fri, 10 May 2013 17:31:05 -0400 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/feature_finder_isotope_wavelet.xml Fri May 10 17:31:05 2013 -0400 @@ -0,0 +1,41 @@ +<tool id="openms_feature_finder_isotope_wavelet" version="0.1.0" name="Feature Finder (Isotope Wavelet)"> + <description> + The feature detection application for quantitation. + </description> + <macros> + <import>macros.xml</import> + </macros> + <expand macro="stdio" /> + <expand macro="requires" /> + <command interpreter="python"> + openms_wrapper.py --executable 'FeatureFinderIsotopeWavelet' --config $config + </command> + <configfiles> + <configfile name="config">[simple_options] +in=$input1 +out=$output +</configfile> + </configfiles> + <inputs> + <param name="input1" label="mzML Input" type="data" format="mzml" /> + </inputs> + <outputs> + <data format="featurexml" name="output" /> + </outputs> + <help> +**What it does** + +This module identifies "features" in a LC/MS map. By feature, we understand a peptide in a MS sample that reveals a characteristic isotope distribution. The algorithm computes positions in rt and m/z dimension and a charge estimate of each peptide. + +The algorithm identifies pronounced regions of the data around so-called seeds. In the next step, we iteratively fit a model of the isotope profile and the retention time to these data points. Data points with a low probability under this model are removed from the feature region. The intensity of the feature is then given by the sum of the data points included in its regions. + +Note: +that the wavelet transform is very slow on high-resolution spectra (i.e. FT, Orbitrap). We recommend to use a noise or intensity filter to remove spurious points first and to speed-up the feature detection process. + +**Citation** + +For the underlying tool, please cite ``Marc Sturm, Andreas Bertsch, Clemens Gröpl, Andreas Hildebrandt, Rene Hussong, Eva Lange, Nico Pfeifer, Ole Schulz-Trieglaff, Alexandra Zerck, Knut Reinert, and Oliver Kohlbacher, 2008. OpenMS – an Open-Source Software Framework for Mass Spectrometry. BMC Bioinformatics 9: 163. doi:10.1186/1471-2105-9-163.`` + +If you use this tool in Galaxy, please cite Chilton J, et al. https://bitbucket.org/galaxyp/galaxyp-toolshed-openms + </help> +</tool>