51 template <
typename SpectrumType>
54 double tolerance = (double)param_.getValue(
"tolerance");
58 for (
Size i = 0; i < spectrum.size(); ++i)
60 for (
Size j = 1; i + j < spectrum.size(); ++j)
62 double pos_ij = spectrum[i + j].getPosition()[0];
63 double pos_i = spectrum[i].getPosition()[0];
64 if (std::fabs(pos_ij - pos_i + 1) < tolerance)
66 isodiff += spectrum[i].getIntensity() + spectrum[i + j].getIntensity();
70 if (std::fabs(spectrum[i + j].getPosition()[0] - spectrum[i].getPosition()[0]) > 1 + tolerance)
A FilterFunctor extracts some spectrum characteristics for quality assessment.
Definition: FilterFunctor.h:20
IsotopeDiffFilter returns total intensity of peak pairs that could result from isotope peaks.
Definition: IsotopeDiffFilter.h:25
~IsotopeDiffFilter() override
destructor
IsotopeDiffFilter()
default constructor
IsotopeDiffFilter & operator=(const IsotopeDiffFilter &source)
assignment operator
IsotopeDiffFilter(const IsotopeDiffFilter &source)
copy constructor
double apply(SpectrumType &spectrum)
Definition: IsotopeDiffFilter.h:52
The representation of a 1D spectrum.
Definition: MSSpectrum.h:44
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:97
Main OpenMS namespace.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19