Package net.sf.mzmine.data

Examples of net.sf.mzmine.data.RawDataFile


  private void viewMassSpectrum(int row, int col) {
    if (!pkTableModel.isCommonColumn(col)) {
      row = convertRowIndexToModel(row);

      RawDataFile dataFile = pkTableModel.getColumnDataFile(col);
      peakListRow = peakList.getRow(row);
      MassCandidate massCandidate = (MassCandidate) peakListRow
          .getPeak(dataFile);

      if (dataFile != null && massCandidate != null)
View Full Code Here


      this.addColumn(newColumn);
      newColumn.setPreferredWidth(columnWidths[i]);
    }

    for (int i = 0; i < peakList.getNumberOfRawDataFiles(); i++) {
      RawDataFile dataFile = peakList.getRawDataFile(i);
      ColumnGroup fileGroup = new ColumnGroup(dataFile.getName());
      header.addColumnGroup(fileGroup);

      for (int j = 0; j < DataFileColumnType.values().length; j++) {

        DataFileColumnType dataFileColumn = DataFileColumnType.values()[j];
View Full Code Here

        currentLoadedObjectName = fileMatcher.group(2);

        String scansFileName = entryName.replaceFirst("\\.xml$",
            ".scans");
        ZipEntry scansEntry = zipFile.getEntry(scansFileName);
        RawDataFile newFile = rawDataFileOpenHandler.readRawDataFile(
            zipFile, scansEntry, entry);
        newProject.addFile(newFile);
        dataFilesIDMap.put(fileID, newFile);
      }
View Full Code Here

    }

    // <RAW_FILE>
    if (qName.equals(PeakListElementName_2_3.RAWFILE.getElementName())) {
      rawDataFileID = getTextOfElement();
      RawDataFile dataFile = dataFilesIDMap.get(rawDataFileID);
      if (dataFile == null) {
        throw new SAXException(
            "Cannot open peak list, because raw data file "
                + rawDataFileID + " is missing.");
      }
      currentPeakListDataFiles.add(dataFile);
    }

    // <SCAN_ID>
    if (qName.equals(PeakListElementName_2_3.SCAN_ID.getElementName())) {

      byte[] bytes = Base64.decodeToBytes(getTextOfElement());
      // make a data input stream
      DataInputStream dataInputStream = new DataInputStream(
          new ByteArrayInputStream(bytes));
      scanNumbers = new int[numOfMZpeaks];
      for (int i = 0; i < numOfMZpeaks; i++) {
        try {
          scanNumbers[i] = dataInputStream.readInt();
        } catch (IOException ex) {
          throw new SAXException(ex);
        }
      }
    }

    // <REPRESENTATIVE_SCAN>
    if (qName.equals(PeakListElementName_2_3.REPRESENTATIVE_SCAN
        .getElementName())) {
      representativeScan = Integer.valueOf(getTextOfElement());
    }

    // <FRAGMENT_SCAN>

    if (qName
        .equals(PeakListElementName_2_3.FRAGMENT_SCAN.getElementName())) {
      fragmentScan = Integer.valueOf(getTextOfElement());
    }

    // <MASS>
    if (qName.equals(PeakListElementName_2_3.MZ.getElementName())) {

      byte[] bytes = Base64.decodeToBytes(getTextOfElement());
      // make a data input stream
      DataInputStream dataInputStream = new DataInputStream(
          new ByteArrayInputStream(bytes));
      masses = new double[numOfMZpeaks];
      for (int i = 0; i < numOfMZpeaks; i++) {
        try {
          masses[i] = (double) dataInputStream.readFloat();
        } catch (IOException ex) {
          throw new SAXException(ex);
        }
      }
    }

    // <HEIGHT>
    if (qName.equals(PeakListElementName_2_3.HEIGHT.getElementName())) {

      byte[] bytes = Base64.decodeToBytes(getTextOfElement());
      // make a data input stream
      DataInputStream dataInputStream = new DataInputStream(
          new ByteArrayInputStream(bytes));
      intensities = new double[numOfMZpeaks];
      for (int i = 0; i < numOfMZpeaks; i++) {
        try {
          intensities[i] = (double) dataInputStream.readFloat();
        } catch (IOException ex) {
          throw new SAXException(ex);
        }
      }
    }

    // <PEAK>
    if (qName.equals(PeakListElementName_2_3.PEAK.getElementName())) {

      DataPoint[] mzPeaks = new DataPoint[numOfMZpeaks];
      Range peakRTRange = null, peakMZRange = null, peakIntensityRange = null;
      RawDataFile dataFile = dataFilesIDMap.get(peakColumnID);

      if (dataFile == null)
        throw new SAXException("Error in project: data file "
            + peakColumnID + " not found");

      for (int i = 0; i < numOfMZpeaks; i++) {

        Scan sc = dataFile.getScan(scanNumbers[i]);
        double retentionTime = sc.getRetentionTime();

        double mz = masses[i];
        double intensity = intensities[i];
View Full Code Here

    dataFiles = MZmineCore.getCurrentProject().getDataFiles();

    if (dataFiles.length == 0)
      return;

    RawDataFile selectedFiles[] = MZmineCore.getDesktop()
        .getSelectedDataFiles();

    if (selectedFiles.length > 0)
      previewDataFile = selectedFiles[0];
    else
View Full Code Here

    if ((peakListX == null) || (peakListY == null))
      return;

    // Select the rawDataFile which has more peaks in each peakList
    int numPeaks = 0;
    RawDataFile file = null;
    RawDataFile file2 = null;

    for (RawDataFile rfile : peakListX.getRawDataFiles()) {
      if (peakListX.getPeaks(rfile).length > numPeaks) {
        numPeaks = peakListX.getPeaks(rfile).length;
        file = rfile;
View Full Code Here

    int filesCount = MZmineCore.getCurrentProject().getDataFiles().length;
    assert (filesCount > 0);

    // Get data file and scan
    RawDataFile[] dataFiles = MZmineCore.getCurrentProject().getDataFiles();
    RawDataFile dataFile = dataFiles[dataFiles.length - 1];

    assert (dataFile != null);

    for (RawDataFile f : MZmineCore.getCurrentProject().getDataFiles())
      System.out.println(f);

    Scan spectrum = dataFile.getScan(1);

    assert (dataFile.getName().contains("filtered"));
    assert (spectrum.getDataPointsByMass(new Range(146, 149)).length == 1);
    assert (spectrum.getDataPointsByMass(new Range(234, 246)).length == 1);
    assert (spectrum.getDataPointsByMass(new Range(249, 261)).length == 1);
  }
View Full Code Here

    setStatus(TaskStatus.PROCESSING);
    logger.info("Running peak extender on " + peakList);

    // We assume source peakList contains one datafile
    RawDataFile dataFile = peakList.getRawDataFile(0);

    // Create a new deisotoped peakList
    extendedPeakList = new SimplePeakList(peakList + " " + suffix,
        peakList.getRawDataFiles());
View Full Code Here

  private ChromatographicPeak getExtendedPeak(ChromatographicPeak oldPeak) {

    double maxHeight = oldPeak.getHeight();
    int originScanNumber = oldPeak.getRepresentativeScanNumber();
    RawDataFile rawFile = oldPeak.getDataFile();
    ExtendedPeak newPeak = new ExtendedPeak(rawFile);
    int totalScanNumber = rawFile.getNumOfScans();
    Range mzRange = mzTolerance.getToleranceRange(oldPeak.getMZ());
    Scan scan;
    DataPoint dataPoint;

    // Look for dataPoint related to this peak to the left
    int scanNumber = originScanNumber;
    scanNumber--;
    while (scanNumber > 0) {

      scan = rawFile.getScan(scanNumber);

      if (scan == null) {
        scanNumber--;
        continue;
      }

      if (scan.getMSLevel() != 1) {
        scanNumber--;
        continue;
      }

      dataPoint = ScanUtils.findBasePeak(scan, mzRange);

      if (dataPoint == null)
        break;
      if (dataPoint.getIntensity() < minimumHeight)
        break;

      newPeak.addMzPeak(scanNumber, dataPoint);
      if (dataPoint.getIntensity() > maxHeight)
        maxHeight = dataPoint.getIntensity();

      scanNumber--;

    }

    // Add original dataPoint
    newPeak.addMzPeak(originScanNumber,
        oldPeak.getDataPoint(originScanNumber));

    // Look to the right
    scanNumber = originScanNumber;
    scanNumber++;
    while (scanNumber <= totalScanNumber) {

      scan = rawFile.getScan(scanNumber);

      if (scan == null) {
        scanNumber++;
        continue;
      }
View Full Code Here

    double[][] rawData = new double[selectedRawDataFiles.length][selectedRows.length];
    for (int rowIndex = 0; rowIndex < selectedRows.length; rowIndex++) {
      PeakListRow peakListRow = selectedRows[rowIndex];
      for (int fileIndex = 0; fileIndex < selectedRawDataFiles.length; fileIndex++) {
        RawDataFile rawDataFile = selectedRawDataFiles[fileIndex];
        ChromatographicPeak p = peakListRow.getPeak(rawDataFile);
        if (p != null) {
          if (useArea)
            rawData[fileIndex][rowIndex] = p.getArea();
          else
View Full Code Here

TOP

Related Classes of net.sf.mzmine.data.RawDataFile

Copyright © 2018 www.massapicom. All rights reserved.
All source code are property of their respective owners. Java is a trademark of Sun Microsystems, Inc and owned by ORACLE Inc. Contact coftware#gmail.com.