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AccurateMassSearch

AccurateMassSearch assembles metabolite features from singleton mass traces.

pot. predecessor tools $ \longrightarrow $ AccurateMassSearch $ \longrightarrow $ pot. successor tools
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Mass traces alone would allow for further analyzes such as metabolite ID or statistical evaluation. However, in general, monoisotopic mass traces are accompanied with satellite C13 peaks and thus may render the analysis more difficult. AccurateMassSearch fulfills a further data reduction step by assembling compatible mass traces to metabolite features (that is, mass traces all stemming from one metabolite). To this end, multiple metabolite hypotheses are formulated and scored according to how well differences in RT and m/z or intensity ratios match to those of theoretical isotope patterns.

The command line parameters of this tool are:

AccurateMassSearch -- Find potential HMDB ids within the given mass error window.
Version: 1.11.1 Nov 14 2013, 11:18:15, Revision: 11976

Usage:
  AccurateMassSearch <options>

This tool has algoritm parameters that are not shown here! Please check the ini file for a detailed descripti
on or use the --helphelp option.

Options (mandatory options marked with '*'):
  -in <file>*        FeatureXML or consensusXML file (valid formats: 'featureXML', 'consensusXML')
  -out <file>*       MzTab file (valid formats: 'csv')
                     
Common UTIL options:
  -ini <file>        Use the given TOPP INI file
  -threads <n>       Sets the number of threads allowed to be used by the TOPP tool (default: '1')
  -write_ini <file>  Writes the default configuration file
  --help             Shows options
  --helphelp         Shows all options (including advanced)

The following configuration subsections are valid:
 - algorithm   Algorithm parameters section

You can write an example INI file using the '-write_ini' option.
Documentation of subsection parameters can be found in the doxygen documentation or the INIFileEditor.
Have a look at the OpenMS documentation for more information.


OpenMS / TOPP release 1.11.1 Documentation generated on Thu Nov 14 2013 11:19:24 using doxygen 1.8.5