Package net.sf.mzmine.modules.peaklistmethods.identification.mascot.data

Examples of net.sf.mzmine.modules.peaklistmethods.identification.mascot.data.PeptideScan


    titleScan = titleScan.replace("%2e", ",");
    String[] tokens = titleScan.split(",");
    String rawFileName = tokens[0];
    int rawScanNumber = Integer.parseInt(tokens[1]);

    PeptideScan scan = new PeptideScan(pepDataFile, rawFileName,
        queryNumber, rawScanNumber);
    Vector<SimpleDataPoint> dataPoints = new Vector<SimpleDataPoint>();
    double mass, intensity;
    String ions = (String) sectionMap.get("Ions1");
    StringTokenizer tokenizer = new StringTokenizer(ions, ",");
    while (tokenizer.hasMoreTokens()) {
      tokens = tokenizer.nextToken().split(":");
      mass = Double.parseDouble(tokens[0]);
      intensity = Double.parseDouble(tokens[1]);
      dataPoints.add(new SimpleDataPoint(mass, intensity));
    }

    scan.setDataPoints(dataPoints.toArray(new SimpleDataPoint[0]));

    return scan;
  }
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