Package net.sf.mzmine.modules.peaklistmethods.peakpicking.deconvolution

Examples of net.sf.mzmine.modules.peaklistmethods.peakpicking.deconvolution.ResolvedPeak


        if (durationRange.contains(retentionTimes[currentRegionEnd]
            - retentionTimes[currentRegionStart])
            && currentRegionHeight >= minimumPeakHeight) {

          // Create a new ResolvedPeak and add it.
          resolvedPeaks.add(new ResolvedPeak(chromatogram,
              currentRegionStart, currentRegionEnd));
        }

        // Find next peak region, starting from next data point.
        currentRegionStart = currentRegionEnd;
View Full Code Here


                    * minRatio
                && peakDuration
                    .contains(retentionTimes[currentRegionEnd]
                        - retentionTimes[currentRegionStart])) {

              resolvedPeaks.add(new ResolvedPeak(chromatogram,
                  currentRegionStart, currentRegionEnd));
            }

            // Set the next region start to current region end - 1
            // because it will be immediately
            // increased +1 as we continue the for-cycle.
            currentRegionStart = currentRegionEnd - 1;
            continue startSearch;
          }

          // Minimum duration of peak must be at least searchRTRange.
          if (retentionTimes[currentRegionEnd]
              - retentionTimes[currentRegionStart] >= searchRTRange) {

            // Set the RT range to check
            final Range checkRange = new Range(
                retentionTimes[currentRegionEnd]
                    - searchRTRange,
                retentionTimes[currentRegionEnd]
                    + searchRTRange);

            // Search if there is lower data point on the left from
            // current peak i.
            for (int i = currentRegionEnd - 1; i > 0
                && checkRange.contains(retentionTimes[i]); i--) {

              if (intensities[i] < intensities[currentRegionEnd]) {

                continue endSearch;
              }
            }

            // Search on the right from current peak i.
            for (int i = currentRegionEnd + 1; i < scanCount
                && checkRange.contains(retentionTimes[i]); i++) {

              if (intensities[i] < intensities[currentRegionEnd]) {

                continue endSearch;
              }
            }

            // Find the intensity at the sides (lowest data points).
            final double peakMinLeft = intensities[currentRegionStart];
            final double peakMinRight = intensities[currentRegionEnd];

            // If we have reached a minimum which is non-zero, but
            // the peak shape would not fulfill the
            // ratio condition, continue searching for next minimum.
            if (currentRegionHeight >= peakMinRight * minRatio) {

              // Check the shape of the peak.
              if (currentRegionHeight >= minHeight
                  && currentRegionHeight >= peakMinLeft
                      * minRatio
                  && currentRegionHeight >= peakMinRight
                      * minRatio
                  && peakDuration
                      .contains(retentionTimes[currentRegionEnd]
                          - retentionTimes[currentRegionStart])) {

                resolvedPeaks.add(new ResolvedPeak(
                    chromatogram, currentRegionStart,
                    currentRegionEnd));
              }

              // Set the next region start to current region end-1
View Full Code Here

      // If exists a detected area (difference between indexes) create a
      // new resolved peak for this region of
      // the chromatogram.
      if (currentPeakEnd - currentPeakStart > 0 && !activeFirstPeak) {

        resolvedPeaks.add(new ResolvedPeak(chromatogram,
            currentPeakStart, currentPeakEnd));

        // If exists next overlapped peak, swap the indexes between next
        // and current, and clean ending index
        // for this new current peak.
View Full Code Here

            }

            if (peakDuration.contains(retentionTimes[end]
                - retentionTimes[start])) {

              resolvedPeaks.add(new ResolvedPeak(chromatogram,
                  start, end));
            }

            start = end;
          }
View Full Code Here

            currentPeakEnd--;
          }

          if (currentPeakEnd - currentPeakStart > 0) {

            final ResolvedPeak peak = new ResolvedPeak(
                chromatogram, currentPeakStart, currentPeakEnd);
            if (peakDuration.contains(peak
                .getRawDataPointsRTRange().getSize())
                && peak.getHeight() >= minimumPeakHeight) {

              resolvedPeaks.add(peak);
            }
          }
View Full Code Here

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