36 unsigned int parent_charge,
38 std::vector<PeptideIon> ion_vector)
40 std::list<PeptideIon> ion_list(ion_vector.begin(), ion_vector.end());
42 spectrum, peptide_sp, parent_charge, precision, ion_list, 1, 1);
48 std::vector<double> mono_th_intensities(peptide_sp.get()->
size(), 0);
49 std::vector<double> isotope_th_intensities(peptide_sp.get()->
size(), 0);
51 std::vector<double> mono_exp_intensities(peptide_sp.get()->
size(), 0);
52 std::vector<double> isotope_exp_intensities(peptide_sp.get()->
size(), 0);
56 if(peak_ion_match.getPeptideIonType() == ion_type)
58 std::size_t vector_position =
59 peak_ion_match.getPeptideFragmentIonSp().get()->size() - 1;
61 peak_ion_match.getPeptideNaturalIsotopeAverageSp();
64 mono_th_intensities[vector_position] =
66 mono_exp_intensities[vector_position] =
67 peak_ion_match.getPeak().y;
71 isotope_th_intensities[vector_position] =
73 isotope_exp_intensities[vector_position] =
74 peak_ion_match.getPeak().y;
79 for(std::size_t i = 0; i < mono_th_intensities.size(); i++)
81 if((mono_th_intensities[i] != 0) && (isotope_th_intensities[i] != 0))
83 DataPoint xy(mono_th_intensities[i] / isotope_th_intensities[i],
84 mono_exp_intensities[i] /
85 isotope_exp_intensities[i]);
86 scaterplot.push_back(
xy);