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OpenMS
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Calculates a distribution of the mass error from given mass spectra and IDs.
The command line parameters of this tool are:
INI file documentation of this tool:
Given a number of peak maps and for each of the maps an idXML file which contains peptide identifications the theoretical masses of the identifications and the peaks of the spectra are compared. This can be done for precursor information stored in the spectra as well as for fragment information.
The result is a distribution of errors of experimental vs. theoretical masses. Having such distributions given the search parameters of the sequence database search can be adjusted to speed-up the identification process and to get a higher performance.