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Example 1 with PeptideIdentityDataFile

use of net.sf.mzmine.modules.peaklistmethods.identification.mascot.data.PeptideIdentityDataFile in project mzmine2 by mzmine.

the class PeptideUtils method getIonCoverage.

/**
 * Returns the coverage of the ion series.
 *
 * @param dataPoints
 * @param peptide
 * @param ionType
 * @param intensityThreshold
 * @return
 */
public static double getIonCoverage(DataPoint[] dataPoints, Peptide peptide, SerieIonType ionType, double intensityThreshold) {
    PeptideFragmentation fragmentation = peptide.getFragmentation();
    FragmentIon[] fragmentIons = fragmentation.getFragmentIons(ionType);
    PeptideIdentityDataFile peptideDataFile = peptide.getScan().getPeptideDataFile();
    double fragmentIonMassErrorTol = peptideDataFile.getFragmentIonMassErrorTolerance();
    DataPoint[] matchedDataPoints = getMatchedIons(dataPoints, fragmentIons, fragmentIonMassErrorTol, intensityThreshold);
    double ionCoverage = calculateSerieCoverage(matchedDataPoints, fragmentIons);
    return ionCoverage;
}
Also used : FragmentIon(net.sf.mzmine.modules.peaklistmethods.identification.mascot.data.FragmentIon) PeptideIdentityDataFile(net.sf.mzmine.modules.peaklistmethods.identification.mascot.data.PeptideIdentityDataFile) DataPoint(net.sf.mzmine.datamodel.DataPoint) PeptideFragmentation(net.sf.mzmine.modules.peaklistmethods.identification.mascot.data.PeptideFragmentation)

Aggregations

DataPoint (net.sf.mzmine.datamodel.DataPoint)1 FragmentIon (net.sf.mzmine.modules.peaklistmethods.identification.mascot.data.FragmentIon)1 PeptideFragmentation (net.sf.mzmine.modules.peaklistmethods.identification.mascot.data.PeptideFragmentation)1 PeptideIdentityDataFile (net.sf.mzmine.modules.peaklistmethods.identification.mascot.data.PeptideIdentityDataFile)1