diff --git a/src/core/identificationgroup.cpp b/src/core/identificationgroup.cpp
index 6ae01e73cae6a0239efd5a137d91a9a34a17cd07..a8f9efebc7f54f5434d3d67a54e25b3465719994 100644
--- a/src/core/identificationgroup.cpp
+++ b/src/core/identificationgroup.cpp
@@ -48,6 +48,17 @@ const GroupStore & IdentificationGroup::getGroupStore() const {
return _group_store;
}
+unsigned int IdentificationGroup::countPeptideMass(ValidationState state) const {
+
+ std::vector<pappso::GrpPeptide *> count_peptide_mass;
+ for (auto & p_protein_match : _protein_match_list) {
+ p_protein_match->countPeptideMass(count_peptide_mass, state);
+ }
+ std::sort(count_peptide_mass.begin(), count_peptide_mass.end());
+ auto last = std::unique(count_peptide_mass.begin(),count_peptide_mass.end());
+ return std::distance(count_peptide_mass.begin(),last);
+}
+
unsigned int IdentificationGroup::countPeptideMassSample(ValidationState state) const {
std::vector<std::size_t> count_peptide_mass_sample;
diff --git a/src/core/identificationgroup.h b/src/core/identificationgroup.h
index c9acc25d4c5dd94dddc09501afe1f7ee14d0344d..055785bbe85309ffa4d6a9b1f4f5fd1001b719af 100644
--- a/src/core/identificationgroup.h
+++ b/src/core/identificationgroup.h
@@ -50,7 +50,7 @@ public:
void addProteinMatch(ProteinMatch * protein_match);
std::vector<ProteinMatch *> & getProteinMatchList();
void addIdentificationDataSourceP(IdentificationDataSource * p_identification_source);
-
+
const PtmGroupingExperiment * getPtmGroupingExperiment() const;
/** @brief count groups
@@ -64,32 +64,36 @@ public:
/** @brief count proteins
* */
unsigned int countProteinMatch(ValidationState state) const;
-
+
/** @brief count decoy proteins
* */
unsigned int countDecoyProteinMatch(ValidationState state) const;
-
+
/** @brief count peptide match (peptide spectrum match + protein match)
* */
unsigned int countPeptideMatch(ValidationState state) const;
-
+
/** @brief count decoy peptide match
* */
unsigned int countDecoyPeptideMatch(ValidationState state) const;
-
+
+ /** @brief count distinct peptides overall samples(peptide+mass) including peptides from decoy proteins
+ * */
+ unsigned int countPeptideMass(ValidationState state) const;
+
/** @brief count peptide (peptide+mass+sample) including peptides from decoy proteins
* */
unsigned int countPeptideMassSample(ValidationState state) const;
-
+
/** @brief count peptide (peptide+mass+sample) only on decoy proteins
* */
unsigned int countDecoyPeptideMassSample(ValidationState state) const;
-
- /** @brief get False Discovery Rate of proteins
+
+ /** @brief get False Discovery Rate of proteins
*/
pappso::pappso_double getProteinFdr(ValidationState state = ValidationState::valid) const;
-
- /** @brief get False Discovery Rate of peptide/mass (unique sequence+modifications)
+
+ /** @brief get False Discovery Rate of peptide/mass (unique sequence+modifications)
*/
pappso::pappso_double getPeptideMassFdr(ValidationState state = ValidationState::valid) const;
@@ -114,7 +118,7 @@ public:
void collectMhDelta(std::vector< pappso::pappso_double> & delta_list, pappso::PrecisionUnit unit, ValidationState state) const;
private :
-
+
void addMsRunSp(MsRunSp ms_run_sp);
private :
GroupingExperiment * _p_grp_experiment= nullptr;
diff --git a/src/core/proteinmatch.cpp b/src/core/proteinmatch.cpp
index de44379b6e643e38468de60e0c1ca60b6ee6ccbb..6866522fec7ff4a997c2fb8bcea72b5d708d5b77 100644
--- a/src/core/proteinmatch.cpp
+++ b/src/core/proteinmatch.cpp
@@ -179,6 +179,14 @@ const pappso::GrpProteinSp & ProteinMatch::getGrpProteinSp() const {
}
+void ProteinMatch::countPeptideMass(std::vector<pappso::GrpPeptide *> & count_peptide_mass, ValidationState state) const {
+ for (auto & p_peptide_match : _peptide_match_list) {
+ if (p_peptide_match->getValidationState() >= state) {
+ count_peptide_mass.push_back(p_peptide_match->getGrpPeptideSp().get());
+ }
+ }
+}
+
void ProteinMatch::countPeptideMassSample(std::vector<size_t> & count_peptide_mass_sample, ValidationState state) const {
for (auto & p_peptide_match : _peptide_match_list) {
if (p_peptide_match->getValidationState() >= state) {
diff --git a/src/core/proteinmatch.h b/src/core/proteinmatch.h
index d9a854a3cb40849a6f373e11a9f2388ab178a6f6..01717dd4e013c56c6d5f081847d759acc28ef870 100644
--- a/src/core/proteinmatch.h
+++ b/src/core/proteinmatch.h
@@ -98,6 +98,10 @@ public:
*/
unsigned int countSampleScan(ValidationState state, const MsRun * p_msrun_id=nullptr) const;
+ /** @brief count peptide (peptide+mass)
+ */
+ void countPeptideMass(std::vector<pappso::GrpPeptide *> & count_peptide_mass, ValidationState state) const;
+
/** @brief count peptide (peptide+mass+sample)
*/
void countPeptideMassSample(std::vector<size_t> & count_peptide_mass_sample, ValidationState state) const;
diff --git a/src/gui/project_view/identification_group_widget/identification_group_widget.ui b/src/gui/project_view/identification_group_widget/identification_group_widget.ui
index 657e21d30954fb03b431d64919e00e1eac71217e..c001e747bfae7f63f97a2236d826025ad0570610 100644
--- a/src/gui/project_view/identification_group_widget/identification_group_widget.ui
+++ b/src/gui/project_view/identification_group_widget/identification_group_widget.ui
@@ -88,13 +88,27 @@
</property>
</widget>
</item>
- <item row="5" column="0">
+ <item row="6" column="0">
<widget class="QPushButton" name="view_ptm_island_button">
<property name="text">
<string>View PTM islands</string>
</property>
</widget>
</item>
+ <item row="5" column="0">
+ <widget class="QLabel" name="grouped_peptide_label">
+ <property name="text">
+ <string>number of grouped distinct peptides</string>
+ </property>
+ </widget>
+ </item>
+ <item row="5" column="1">
+ <widget class="QLabel" name="grouped_peptide_display">
+ <property name="text">
+ <string>0</string>
+ </property>
+ </widget>
+ </item>
</layout>
</item>
</layout>
diff --git a/src/gui/project_view/identification_group_widget/identificationgroupwidget.cpp b/src/gui/project_view/identification_group_widget/identificationgroupwidget.cpp
index 14f2c9e500c145aaa94359747d5783792a3dfa18..d10b748420f1401cadda5428fdb39e630f52df2b 100644
--- a/src/gui/project_view/identification_group_widget/identificationgroupwidget.cpp
+++ b/src/gui/project_view/identification_group_widget/identificationgroupwidget.cpp
@@ -73,6 +73,7 @@ void IdentificationGroupWidget::doIdentificationGroupGrouped(IdentificationGroup
ui->group_number_display->setText(QString("%1").arg(_p_identification_group->countGroup()));
ui->subgroup_number_display->setText(QString("%1").arg(_p_identification_group->countSubGroup()));
ui->protein_number_display->setText(QString("%1").arg(_p_identification_group->countProteinMatch(ValidationState::grouped)));
+ ui->grouped_peptide_display->setText(QString("%1").arg(_p_identification_group->countPeptideMass(ValidationState::grouped)));
_p_identification_group->countPeptideMatch(ValidationState::grouped);
}
}