Method compute

src/openms/source/QC/TIC.cpp:19–61

{

  TIC::Result TIC::compute(const MSExperiment& exp, float bin_size, UInt ms_level)
  {
    TIC::Result result;
    MSChromatogram tic = exp.calculateTIC(bin_size, ms_level);
    if (!tic.empty())
    {
      for (const auto& p : tic)
      {
        result.intensities.push_back(p.getIntensity());
        result.retention_times.push_back(p.getRT());
      }

      UInt max_int = *max_element(result.intensities.begin(), result.intensities.end());

      for (const auto& i : result.intensities)
      {
        if (max_int != 0)
        {
          result.relative_intensities.push_back((double)i / max_int * 100);
        }
        else
        {
          result.relative_intensities.push_back(0.0);
        }
      }

      result.area = result.intensities[0];

      for (size_t i = 1; i < result.intensities.size(); ++i)
      {
        result.area += result.intensities[i];
        if (result.intensities[i] > result.intensities[i - 1] * 10) // detect 10x jumps between two subsequent scans
        {
          ++result.jump;
        }
        if (result.intensities[i] < result.intensities[i - 1] / 10) // detect 10x falls between two subsequent scans
        {
          ++result.fall;
        }
      }
    }
    return result;
  }

  bool TIC::Result::operator==(const Result& rhs) const
  {