diff --git a/src/output/ods/proteinsheet.cpp b/src/output/ods/proteinsheet.cpp
index 80e4d52b75cfe2fef095f14045df4abf09cb3f43..0bc93d1e1fcfbb45e206a68ccddcdbe2692b81a6 100644
--- a/src/output/ods/proteinsheet.cpp
+++ b/src/output/ods/proteinsheet.cpp
@@ -6,204 +6,250 @@
*/
/*******************************************************************************
-* Copyright (c) 2017 Olivier Langella <olivier.langella@u-psud.fr>.
-*
-* This file is part of XTPcpp.
-*
-* XTPcpp is free software: you can redistribute it and/or modify
-* it under the terms of the GNU General Public License as published by
-* the Free Software Foundation, either version 3 of the License, or
-* (at your option) any later version.
-*
-* XTPcpp is distributed in the hope that it will be useful,
-* but WITHOUT ANY WARRANTY; without even the implied warranty of
-* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
-* GNU General Public License for more details.
-*
-* You should have received a copy of the GNU General Public License
-* along with XTPcpp. If not, see <http://www.gnu.org/licenses/>.
-*
-* Contributors:
-* Olivier Langella <olivier.langella@u-psud.fr> - initial API and implementation
-******************************************************************************/
+ * Copyright (c) 2017 Olivier Langella <olivier.langella@u-psud.fr>.
+ *
+ * This file is part of XTPcpp.
+ *
+ * XTPcpp is free software: you can redistribute it and/or modify
+ * it under the terms of the GNU General Public License as published by
+ * the Free Software Foundation, either version 3 of the License, or
+ * (at your option) any later version.
+ *
+ * XTPcpp is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+ * GNU General Public License for more details.
+ *
+ * You should have received a copy of the GNU General Public License
+ * along with XTPcpp. If not, see <http://www.gnu.org/licenses/>.
+ *
+ * Contributors:
+ * Olivier Langella <olivier.langella@u-psud.fr> - initial API and
+ *implementation
+ ******************************************************************************/
#include "proteinsheet.h"
#include "../../core/identificationgroup.h"
#include <pappsomspp/utils.h>
#include <pappsomspp/pappsoexception.h>
-ProteinSheet::ProteinSheet (OdsExport * p_ods_export, CalcWriterInterface * p_writer, const Project * p_project): _p_project(p_project) {
- _p_writer = p_writer;
- _p_ods_export = p_ods_export;
- p_writer->writeSheet("proteins");
-
- OdsTableSettings table_settings;
- table_settings.setVerticalSplit(1);
- _p_writer->setCurrentOdsTableSettings(table_settings);
-
- std::vector<IdentificationGroup *> identification_list = p_project->getIdentificationGroupList();
- for (IdentificationGroup * p_ident:identification_list) {
- //writeHeaders(p_ident);
- writeIdentificationGroup(p_ident);
+ProteinSheet::ProteinSheet(OdsExport *p_ods_export,
+ CalcWriterInterface *p_writer,
+ const Project *p_project)
+ : _p_project(p_project)
+{
+ _p_writer = p_writer;
+ _p_ods_export = p_ods_export;
+ p_writer->writeSheet("proteins");
+
+ OdsTableSettings table_settings;
+ table_settings.setVerticalSplit(1);
+ _p_writer->setCurrentOdsTableSettings(table_settings);
+
+ std::vector<IdentificationGroup *> identification_list =
+ p_project->getIdentificationGroupList();
+ for(IdentificationGroup *p_ident : identification_list)
+ {
+ // writeHeaders(p_ident);
+ writeIdentificationGroup(p_ident);
}
}
-void ProteinSheet::writeCellHeader(ProteinListColumn column) {
- qDebug() << "ProteinSheet::writeCellHeader begin " << (std::int8_t) column;
- _p_writer->setCellAnnotation(ProteinTableModel::getDescription(column));
- _p_writer->writeCell(ProteinTableModel::getTitle(column));
- qDebug() << "ProteinSheet::writeCellHeader end" ;
+void
+ProteinSheet::writeCellHeader(ProteinListColumn column)
+{
+ qDebug() << "ProteinSheet::writeCellHeader begin " << (std::int8_t)column;
+ _p_writer->setCellAnnotation(ProteinTableModel::getDescription(column));
+ _p_writer->writeCell(ProteinTableModel::getTitle(column));
+ qDebug() << "ProteinSheet::writeCellHeader end";
}
-void ProteinSheet::writeHeaders(IdentificationGroup * p_ident) {
- // Group ID Sub-group ID Protein ID Description log(E value)
- // Coverage MW Spectra Specific uniques Uniques PAI Redundancy
-
- const std::vector<MsRunSp> msrun_list = p_ident->getMsRunSpList();
- if (msrun_list.size() == 1) {
- _p_writer->writeCell("sample");
- _p_writer->writeLine();
- _p_writer->writeCell(msrun_list[0].get()->getSampleName());
- _p_writer->writeLine();
+void
+ProteinSheet::writeHeaders(IdentificationGroup *p_ident)
+{
+ // Group ID Sub-group ID Protein ID Description log(E value)
+ // Coverage MW Spectra Specific uniques Uniques PAI Redundancy
+
+ const std::vector<MsRunSp> msrun_list = p_ident->getMsRunSpList();
+ if(msrun_list.size() == 1)
+ {
+ _p_writer->writeCell("sample");
+ _p_writer->writeLine();
+ _p_writer->writeCell(msrun_list[0].get()->getSampleName());
+ _p_writer->writeLine();
}
- _p_writer->writeLine();
-
- _p_writer->setCellAnnotation("group number");
- _p_writer->writeCell("Group ID");
- _p_writer->setCellAnnotation("subgroup number");
- _p_writer->writeCell("Sub-group ID");
- writeCellHeader(ProteinListColumn::protein_grouping_id);
- //_p_writer->setCellAnnotation("unique protein identifier within this grouping experiment");
- //_p_writer->writeCell("Protein ID");
-
- writeCellHeader(ProteinListColumn::accession);
- writeCellHeader(ProteinListColumn::description);
- writeCellHeader(ProteinListColumn::log_evalue);
- writeCellHeader(ProteinListColumn::coverage);
- _p_writer->setCellAnnotation("computed molecular weight for this protein (sum of amino acid masses)");
- _p_writer->writeCell("MW");
- _p_writer->setCellAnnotation("number of amino acids");
- _p_writer->writeCell("size");
-
- writeCellHeader(ProteinListColumn::spectrum);
- //_p_writer->setCellAnnotation("number of scans (spectra) attributed to this protein");
- // _p_writer->writeCell("Spectra");
- writeCellHeader(ProteinListColumn::specific_spectrum);
-
- writeCellHeader(ProteinListColumn::sequence);
-
- writeCellHeader(ProteinListColumn::specific_sequence);
- _p_writer->setCellAnnotation("number of unique peptidesequenceLI+modification+charge attributed to this protein (used to compute the PAI)");
- _p_writer->writeCell("Uniques peptide-mod-charge");
- _p_writer->setCellAnnotation("theoretical number of tryptic peptides used in the PAI computation");
- _p_writer->writeCell("Theoretical number of tryptic peptides");
-
- writeCellHeader(ProteinListColumn::pai);
- writeCellHeader(ProteinListColumn::empai);
- //_p_writer->writeCell("spectral count AI");
- _p_writer->setCellAnnotation("number of proteins in the same subgroup");
- _p_writer->writeCell("Sub-group proteins");
- _p_writer->setCellAnnotation("number of MS samples in which this protein was observed");
- _p_writer->writeCell("number of MS samples");
-
-
+ _p_writer->writeLine();
+
+ _p_writer->setCellAnnotation("group number");
+ _p_writer->writeCell("Group ID");
+ _p_writer->setCellAnnotation("subgroup number");
+ _p_writer->writeCell("Sub-group ID");
+
+ _p_writer->setCellAnnotation(ProteinTableModel::getDescription(ProteinListColumn::protein_grouping_id));
+ _p_writer->writeCell("Protein ID");
+ //writeCellHeader(ProteinListColumn::protein_grouping_id);
+ //_p_writer->setCellAnnotation("unique protein identifier within this grouping
+ //experiment"); _p_writer->writeCell("Protein ID");
+
+ writeCellHeader(ProteinListColumn::accession);
+ writeCellHeader(ProteinListColumn::description);
+ writeCellHeader(ProteinListColumn::log_evalue);
+ writeCellHeader(ProteinListColumn::coverage);
+ _p_writer->setCellAnnotation(
+ "computed molecular weight for this protein (sum of amino acid masses)");
+ _p_writer->writeCell("MW");
+ _p_writer->setCellAnnotation("number of amino acids");
+ _p_writer->writeCell("size");
+
+ writeCellHeader(ProteinListColumn::spectrum);
+ //_p_writer->setCellAnnotation("number of scans (spectra) attributed to this
+ //protein");
+ // _p_writer->writeCell("Spectra");
+ writeCellHeader(ProteinListColumn::specific_spectrum);
+
+ writeCellHeader(ProteinListColumn::sequence);
+
+ writeCellHeader(ProteinListColumn::specific_sequence);
+ _p_writer->setCellAnnotation(
+ "number of unique peptidesequenceLI+modification+charge attributed to this "
+ "protein (used to compute the PAI)");
+ _p_writer->writeCell("Uniques peptide-mod-charge");
+ _p_writer->setCellAnnotation(
+ "theoretical number of tryptic peptides used in the PAI computation");
+ _p_writer->writeCell("Theoretical number of tryptic peptides");
+
+ writeCellHeader(ProteinListColumn::pai);
+ writeCellHeader(ProteinListColumn::empai);
+ //_p_writer->writeCell("spectral count AI");
+ _p_writer->setCellAnnotation("number of proteins in the same subgroup");
+ _p_writer->writeCell("Sub-group proteins");
+ _p_writer->setCellAnnotation(
+ "number of MS samples in which this protein was observed");
+ _p_writer->writeCell("number of MS samples");
}
-void ProteinSheet::writeIdentificationGroup(IdentificationGroup * p_ident) {
+void
+ProteinSheet::writeIdentificationGroup(IdentificationGroup *p_ident)
+{
- writeHeaders(p_ident);
- for (const std::pair<unsigned int, GroupingGroupSp> & group_pair : p_ident->getGroupStore().getGroupMap()) {
+ writeHeaders(p_ident);
+ for(const std::pair<unsigned int, GroupingGroupSp> &group_pair :
+ p_ident->getGroupStore().getGroupMap())
+ {
- std::vector<const ProteinMatch *> protein_match_list = group_pair.second.get()->getProteinMatchList();
+ std::vector<const ProteinMatch *> protein_match_list =
+ group_pair.second.get()->getProteinMatchList();
- std::sort(protein_match_list.begin(), protein_match_list.end(),
- [](const ProteinMatch * a, const ProteinMatch * b)
- {
- return a->getGrpProteinSp().get()->getSubGroupNumber() < b->getGrpProteinSp().get()->getSubGroupNumber();
- });
+ std::sort(protein_match_list.begin(), protein_match_list.end(),
+ [](const ProteinMatch *a, const ProteinMatch *b) {
+ return a->getGrpProteinSp().get()->getSubGroupNumber() <
+ b->getGrpProteinSp().get()->getSubGroupNumber();
+ });
- for (auto & protein_match:protein_match_list) {
- writeOneProtein(group_pair.second.get(), protein_match);
+ for(auto &protein_match : protein_match_list)
+ {
+ writeOneProtein(group_pair.second.get(), protein_match);
}
-
}
- _p_writer->writeLine();
+ _p_writer->writeLine();
}
-void ProteinSheet::writeOneProtein(const GroupingGroup * p_group, const ProteinMatch * p_protein_match) {
- try {
- _p_writer->writeLine();
-
- qDebug() << "ProteinSheet::writeOneProtein begin" ;
- ValidationState validation_state = ValidationState::validAndChecked;
-
- pappso::GrpProtein * p_grp_protein = p_protein_match->getGrpProteinSp().get();
-
- ProteinXtp * p_protein = p_protein_match->getProteinXtpSp().get();
-
- unsigned int group_number = p_grp_protein->getGroupNumber();
- unsigned int subgroup_number = p_grp_protein->getSubGroupNumber();
- _p_ods_export->setEvenOrOddStyle(group_number, _p_writer);
- _p_writer->writeCell(pappso::Utils::getLexicalOrderedString(group_number));
- _p_ods_export->setEvenOrOddStyle(subgroup_number, _p_writer);
- _p_writer->writeCell(QString("%1.%2").arg(pappso::Utils::getLexicalOrderedString(group_number)).arg(pappso::Utils::getLexicalOrderedString(subgroup_number)));
- _p_writer->clearTableCellStyleRef();
- _p_writer->writeCell(p_grp_protein->getGroupingId());
-
- const std::list<DbXref> & dbxref_list = p_protein->getDbxrefList();
- if (dbxref_list.size() == 0) {
- _p_writer->writeCell(p_protein->getAccession());
+void
+ProteinSheet::writeOneProtein(const GroupingGroup *p_group,
+ const ProteinMatch *p_protein_match)
+{
+ try
+ {
+ _p_writer->writeLine();
+
+ qDebug() << "ProteinSheet::writeOneProtein begin";
+ ValidationState validation_state = ValidationState::validAndChecked;
+
+ pappso::GrpProtein *p_grp_protein =
+ p_protein_match->getGrpProteinSp().get();
+
+ ProteinXtp *p_protein = p_protein_match->getProteinXtpSp().get();
+
+ unsigned int group_number = p_grp_protein->getGroupNumber();
+ unsigned int subgroup_number = p_grp_protein->getSubGroupNumber();
+ _p_ods_export->setEvenOrOddStyle(group_number, _p_writer);
+ _p_writer->writeCell(
+ pappso::Utils::getLexicalOrderedString(group_number));
+ _p_ods_export->setEvenOrOddStyle(subgroup_number, _p_writer);
+ _p_writer->writeCell(
+ QString("%1.%2")
+ .arg(pappso::Utils::getLexicalOrderedString(group_number))
+ .arg(pappso::Utils::getLexicalOrderedString(subgroup_number)));
+ _p_writer->clearTableCellStyleRef();
+ _p_writer->writeCell(p_grp_protein->getGroupingId());
+
+ const std::list<DbXref> &dbxref_list = p_protein->getDbxrefList();
+ if(dbxref_list.size() == 0)
+ {
+ _p_writer->writeCell(p_protein->getAccession());
}
- else {
- _p_writer->writeCell(dbxref_list.front().getUrl(), p_protein->getAccession());
+ else
+ {
+ _p_writer->writeCell(dbxref_list.front().getUrl(),
+ p_protein->getAccession());
}
- _p_writer->writeCell(p_protein->getDescription());
- _p_writer->writeCell(p_protein_match->getLogEvalue());
- // _p_writer->writeCell("Coverage");
- _p_writer->writeCellPercentage(p_protein_match->getCoverage());
- // _p_writer->writeCell("MW");
- _p_writer->writeCell(p_protein->getMass());
- _p_writer->writeCell(p_protein->size());
- // _p_writer->writeCell("Spectra");
- _p_writer->writeCell(p_protein_match->countSampleScan(validation_state));
-
- // _p_writer->writeCell("Specific");
- _p_writer->writeCell((unsigned int) p_group->countSpecificSampleScan(p_protein_match, validation_state));
-
- // _p_writer->writeCell("Uniques");
- _p_writer->writeCell((unsigned int) p_protein_match->countSequenceLi(validation_state));
-
- // _p_writer->writeCell("Specific uniques");
- _p_writer->writeCell((unsigned int) p_group->countSpecificSequenceLi(p_protein_match, validation_state));
-
-
- _p_writer->writeCell(p_protein_match->countPeptideMassCharge(validation_state));
- qDebug() << "ProteinSheet::writeOneProtein tryptic" ;
- _p_writer->writeCell(p_protein->countTrypticPeptidesForPAI());
- // _p_writer->writeCell("PAI");
- // _p_writer->writeCell(new Double((float) hashProt
- // .getTotalHashSampleScan() / prot.get_PAI_count()));
- _p_writer->writeCell(p_protein_match->getPAI());
- // _p_writer->writeCell(match.getPAI());//this is the same
- /*
- * ancien PAI _p_writer->writeCell(new Double((float)
- * top.get_spectra_numbers_to(sample) /
- * top.get_protein_match().get_PAI_count()));
- */
- _p_writer->writeCell(p_protein_match->getEmPAI());
-
- //_p_writer->writeCell(p_protein_match->getSpectralCountAI());
-
- // _p_writer->writeCell("Redundancy");
- _p_writer->writeCell(p_group->countProteinInSubgroup(p_grp_protein->getSubGroupNumber()));
-
- //number of MS sample
- _p_writer->writeCell(p_protein_match->countDistinctMsSamples(validation_state));
-
- qDebug() << "ProteinSheet::writeOneProtein end" ;
+ _p_writer->writeCell(p_protein->getDescription());
+ _p_writer->writeCell(p_protein_match->getLogEvalue());
+ // _p_writer->writeCell("Coverage");
+ _p_writer->writeCellPercentage(p_protein_match->getCoverage());
+ // _p_writer->writeCell("MW");
+ _p_writer->writeCell(p_protein->getMass());
+ _p_writer->writeCell(p_protein->size());
+ // _p_writer->writeCell("Spectra");
+ _p_writer->writeCell(p_protein_match->countSampleScan(validation_state));
+
+ // _p_writer->writeCell("Specific");
+ _p_writer->writeCell((unsigned int)p_group->countSpecificSampleScan(
+ p_protein_match, validation_state));
+
+ // _p_writer->writeCell("Uniques");
+ _p_writer->writeCell(
+ (unsigned int)p_protein_match->countSequenceLi(validation_state));
+
+ // _p_writer->writeCell("Specific uniques");
+ _p_writer->writeCell((unsigned int)p_group->countSpecificSequenceLi(
+ p_protein_match, validation_state));
+
+
+ _p_writer->writeCell(
+ p_protein_match->countPeptideMassCharge(validation_state));
+ qDebug() << "ProteinSheet::writeOneProtein tryptic";
+ _p_writer->writeCell(p_protein->countTrypticPeptidesForPAI());
+ // _p_writer->writeCell("PAI");
+ // _p_writer->writeCell(new Double((float) hashProt
+ // .getTotalHashSampleScan() / prot.get_PAI_count()));
+ _p_writer->writeCell(p_protein_match->getPAI());
+ // _p_writer->writeCell(match.getPAI());//this is the same
+ /*
+ * ancien PAI _p_writer->writeCell(new Double((float)
+ * top.get_spectra_numbers_to(sample) /
+ * top.get_protein_match().get_PAI_count()));
+ */
+ _p_writer->writeCell(p_protein_match->getEmPAI());
+
+ //_p_writer->writeCell(p_protein_match->getSpectralCountAI());
+
+ // _p_writer->writeCell("Redundancy");
+ _p_writer->writeCell(
+ p_group->countProteinInSubgroup(p_grp_protein->getSubGroupNumber()));
+
+ // number of MS sample
+ _p_writer->writeCell(
+ p_protein_match->countDistinctMsSamples(validation_state));
+
+ qDebug() << "ProteinSheet::writeOneProtein end";
}
- catch (pappso::PappsoException error) {
- throw pappso::PappsoException(QObject::tr("Error writing protein %1 :\n%2").arg(p_protein_match->getProteinXtpSp().get()->getAccession()).arg(error.qwhat()));
+ catch(pappso::PappsoException error)
+ {
+ throw pappso::PappsoException(
+ QObject::tr("Error writing protein %1 :\n%2")
+ .arg(p_protein_match->getProteinXtpSp().get()->getAccession())
+ .arg(error.qwhat()));
}
}
diff --git a/src/output/ods/proteinsheet.h b/src/output/ods/proteinsheet.h
index fb454c97b41dc86e003f5639f310055fede798ba..660256246b3d3b08c939b7cf6d86dbcb038d87bc 100644
--- a/src/output/ods/proteinsheet.h
+++ b/src/output/ods/proteinsheet.h
@@ -6,26 +6,27 @@
*/
/*******************************************************************************
-* Copyright (c) 2017 Olivier Langella <olivier.langella@u-psud.fr>.
-*
-* This file is part of XTPcpp.
-*
-* XTPcpp is free software: you can redistribute it and/or modify
-* it under the terms of the GNU General Public License as published by
-* the Free Software Foundation, either version 3 of the License, or
-* (at your option) any later version.
-*
-* XTPcpp is distributed in the hope that it will be useful,
-* but WITHOUT ANY WARRANTY; without even the implied warranty of
-* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
-* GNU General Public License for more details.
-*
-* You should have received a copy of the GNU General Public License
-* along with XTPcpp. If not, see <http://www.gnu.org/licenses/>.
-*
-* Contributors:
-* Olivier Langella <olivier.langella@u-psud.fr> - initial API and implementation
-******************************************************************************/
+ * Copyright (c) 2017 Olivier Langella <olivier.langella@u-psud.fr>.
+ *
+ * This file is part of XTPcpp.
+ *
+ * XTPcpp is free software: you can redistribute it and/or modify
+ * it under the terms of the GNU General Public License as published by
+ * the Free Software Foundation, either version 3 of the License, or
+ * (at your option) any later version.
+ *
+ * XTPcpp is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+ * GNU General Public License for more details.
+ *
+ * You should have received a copy of the GNU General Public License
+ * along with XTPcpp. If not, see <http://www.gnu.org/licenses/>.
+ *
+ * Contributors:
+ * Olivier Langella <olivier.langella@u-psud.fr> - initial API and
+ *implementation
+ ******************************************************************************/
#ifndef PROTEINSHEET_H
#define PROTEINSHEET_H
@@ -38,19 +39,23 @@
class ProteinSheet
{
-public :
- ProteinSheet (OdsExport * p_ods_export, CalcWriterInterface * p_writer, const Project * p_project);
-private :
- void writeIdentificationGroup(IdentificationGroup * p_ident);
- void writeHeaders(IdentificationGroup * p_ident);
- void writeOneProtein(const GroupingGroup * p_group, const ProteinMatch * p_protein_match);
-
-protected:
- void writeCellHeader(ProteinListColumn column);
-private :
- OdsExport * _p_ods_export;
- const Project * _p_project;
- CalcWriterInterface * _p_writer;
+ public:
+ ProteinSheet(OdsExport *p_ods_export, CalcWriterInterface *p_writer,
+ const Project *p_project);
+
+ private:
+ void writeIdentificationGroup(IdentificationGroup *p_ident);
+ void writeHeaders(IdentificationGroup *p_ident);
+ void writeOneProtein(const GroupingGroup *p_group,
+ const ProteinMatch *p_protein_match);
+
+ protected:
+ void writeCellHeader(ProteinListColumn column);
+
+ private:
+ OdsExport *_p_ods_export;
+ const Project *_p_project;
+ CalcWriterInterface *_p_writer;
};
diff --git a/src/utils/msrunstatisticshandler.h b/src/utils/msrunstatisticshandler.h
index 81645e2964d3894b53e2d7a1eef7ab5cd4697d05..ae57c462c4203ad4a76c46acbdccf27c9c920a2d 100644
--- a/src/utils/msrunstatisticshandler.h
+++ b/src/utils/msrunstatisticshandler.h
@@ -32,17 +32,18 @@
class MsRunStatisticsHandler : public pappso::SpectrumCollectionHandlerInterface
{
-public:
- virtual void setQualifiedSpectrum (const pappso::QualifiedSpectrum & qspectrum) override;
- virtual bool needPeakList () const override ;
-
- unsigned long getMsLevelCount(unsigned int ms_level) const;
- pappso::pappso_double getMsLevelTic(unsigned int ms_level) const;
-
-
- unsigned long getTotalCount() const;
-
-private:
- std::vector<unsigned long> _count_ms_level_spectrum;
- std::vector<pappso::pappso_double> _tic_ms_level_spectrum;
+ public:
+ virtual void
+ setQualifiedSpectrum(const pappso::QualifiedSpectrum &qspectrum) override;
+ virtual bool needPeakList() const override;
+
+ unsigned long getMsLevelCount(unsigned int ms_level) const;
+ pappso::pappso_double getMsLevelTic(unsigned int ms_level) const;
+
+
+ unsigned long getTotalCount() const;
+
+ private:
+ std::vector<unsigned long> _count_ms_level_spectrum;
+ std::vector<pappso::pappso_double> _tic_ms_level_spectrum;
};