// Find the best fragmentation scan, if available
int fragmentScan = ScanUtils.findBestFragmentScan(rawDataFile,
finalRTRange, finalMZRange);
SimpleChromatographicPeak newPeak = new SimpleChromatographicPeak(
rawDataFile, mz, rt, height, area, scanNumbers,
finalDataPoint, PeakStatus.ESTIMATED, representativeScan,
fragmentScan, finalRTRange, finalMZRange,
finalIntensityRange);