diff --git a/src/utils/readspectrum.cpp b/src/utils/readspectrum.cpp index 09376f5b3ab77637a540bc941ae5a1ca0150270b..cfab485b441908d550b1860bd2efcd846d45aaba 100644 --- a/src/utils/readspectrum.cpp +++ b/src/utils/readspectrum.cpp @@ -65,7 +65,7 @@ SpectrumSp getSpectrumSpFromPwizMSDataFile(pwiz::msdata::MSDataFile * p_ms_data_ SpectrumSp empty; return (empty); } - + pwiz::msdata::CVID native_id_format; const bool getBinaryData = true; pwiz::msdata::SpectrumListPtr spectrum_list_ptr = p_ms_data_file->run.spectrumListPtr; unsigned int spectrum_index = 0; @@ -74,11 +74,11 @@ SpectrumSp getSpectrumSpFromPwizMSDataFile(pwiz::msdata::MSDataFile * p_ms_data_ } else { // turn our scan numbers into navtieId strings for pwiz - pwiz::msdata::CVID nativeIdFormat_ = pwiz::msdata::id::getDefaultNativeIDFormat(*p_ms_data_file); - if (nativeIdFormat_ == pwiz::cv::CVID::MS_Mascot_MGF_format) { + native_id_format = pwiz::msdata::id::getDefaultNativeIDFormat(*p_ms_data_file); + if (native_id_format == pwiz::cv::CVID::MS_Mascot_MGF_format) { scan_num = scan_num-1; } - string nativeScanId = pwiz::msdata::id::translateScanNumberToNativeID(nativeIdFormat_, QString("%1").arg(scan_num).toStdString()); + string nativeScanId = pwiz::msdata::id::translateScanNumberToNativeID(native_id_format, QString("%1").arg(scan_num).toStdString()); spectrum_index = spectrum_list_ptr.get()->find(nativeScanId); } qDebug() << "spectrum_index " << spectrum_index; @@ -133,6 +133,11 @@ SpectrumSp getSpectrumSpFromPwizMSDataFile(pwiz::msdata::MSDataFile * p_ms_data_ spectrum.push_back(Peak(it->mz, it->intensity)); } qDebug() << "spectrum size " << spectrum.size(); + if (native_id_format == pwiz::cv::CVID::MS_Mascot_MGF_format) { + //sort peaks by mz + spectrum = spectrum.takeNmostIntense(1000); + //spectrum.sortMz(); + } //cout << "spectrum_simple size " << spectrum_simple.getSpectrumSize()<< endl; // lc = localeconv ();