marks all seen (unassigned-)PeptideIdentifications in vector ms2_included
| 69 | |
| 70 | // marks all seen (unassigned-)PeptideIdentifications in vector ms2_included |
| 71 | void Ms2SpectrumStats::setPresenceAndScanEventNumber_(PeptideIdentification& peptide_ID, const MSExperiment& exp, const QCBase::SpectraMap& map_to_spectrum) |
| 72 | { |
| 73 | if (!peptide_ID.metaValueExists("spectrum_reference")) |
| 74 | { |
| 75 | throw Exception::InvalidParameter(__FILE__, __LINE__, OPENMS_PRETTY_FUNCTION, "No spectrum reference annotated at peptide identification!"); |
| 76 | } |
| 77 | |
| 78 | UInt64 index = map_to_spectrum.at(peptide_ID.getSpectrumReference()); |
| 79 | const MSSpectrum& spectrum = exp[index]; |
| 80 | |
| 81 | if (spectrum.getMSLevel() == 2) |
| 82 | { |
| 83 | ms2_included_[index].ms2_presence = true; |
| 84 | peptide_ID.setMetaValue("ScanEventNumber", ms2_included_[index].scan_event_number); |
| 85 | peptide_ID.setMetaValue("identified", 1); |
| 86 | peptide_ID.setMetaValue("total_ion_count", spectrum.calculateTIC()); |
| 87 | peptide_ID.setMetaValue("base_peak_intensity", getBPI_(spectrum)); |
| 88 | annotatePepIDfromSpectrum_(spectrum, peptide_ID); // ion_injection_time and activation_method |
| 89 | } |
| 90 | } |
| 91 | |
| 92 | std::vector<PeptideIdentification> Ms2SpectrumStats::getUnassignedPeptideIdentifications_(const MSExperiment& exp) |
| 93 | { |
nothing calls this directly
no test coverage detected