diff --git a/src/pappsomspp/processing/filters/filterchargedeconvolution.cpp b/src/pappsomspp/processing/filters/filterchargedeconvolution.cpp index 85351d8c2646476340fd788ac8ef61831c80a724..76415d021ecd7c282a4a3faf8cd264ac5494fa6e 100644 --- a/src/pappsomspp/processing/filters/filterchargedeconvolution.cpp +++ b/src/pappsomspp/processing/filters/filterchargedeconvolution.cpp @@ -30,15 +30,17 @@ using namespace pappso; FilterChargeDeconvolution::FilterChargeDeconvolution(PrecisionPtr precision_ptr) - : m_precisionPtr(precision_ptr) + : m_precisionPtrZ1(precision_ptr) { m_diffC12C13_z1 = DIFFC12C13; m_diffC12C13_z2 = DIFFC12C13 / 2; + m_precisionPtrZ2 = pappso::PrecisionFactory::getDaltonInstance(precision_ptr->getNominal()/2); + qInfo() << m_precisionPtrZ2->getNominal(); } FilterChargeDeconvolution::FilterChargeDeconvolution( const FilterChargeDeconvolution &other) - : m_precisionPtr(other.m_precisionPtr) + : m_precisionPtrZ1(other.m_precisionPtrZ1) { m_diffC12C13_z1 = DIFFC12C13; m_diffC12C13_z2 = DIFFC12C13 / 2; @@ -84,11 +86,11 @@ pappso::FilterChargeDeconvolution::addDataPointToList( pappso::DataPoint &data_point) const { DataPointInfoSp new_dpi(std::make_shared<DataPointInfo>()); - + new_dpi->data_point = data_point; - MzRange range1(data_point.x + m_diffC12C13_z1, m_precisionPtr); + MzRange range1(data_point.x + m_diffC12C13_z1, m_precisionPtrZ1); new_dpi->z1_range = std::pair<double, double>(range1.lower(), range1.upper()); - MzRange range2(data_point.x + m_diffC12C13_z2, m_precisionPtr); + MzRange range2(data_point.x + m_diffC12C13_z2, m_precisionPtrZ2); new_dpi->z2_range = std::pair<double, double>(range2.lower(), range2.upper()); addDataPointRefByExclusion(points, new_dpi); points.push_back(new_dpi); diff --git a/src/pappsomspp/processing/filters/filterchargedeconvolution.h b/src/pappsomspp/processing/filters/filterchargedeconvolution.h index c966344dc0dd2082a492a80cfde61258eaed1a88..3401781f102b0956fd084911b7d783c765100eb0 100644 --- a/src/pappsomspp/processing/filters/filterchargedeconvolution.h +++ b/src/pappsomspp/processing/filters/filterchargedeconvolution.h @@ -133,6 +133,7 @@ class PMSPP_LIB_DECL FilterChargeDeconvolution : public FilterInterface private: double m_diffC12C13_z1; double m_diffC12C13_z2; - PrecisionPtr m_precisionPtr; + PrecisionPtr m_precisionPtrZ1; + PrecisionPtr m_precisionPtrZ2; }; } // namespace pappso diff --git a/src/pappsomspp/processing/tandemwrapper/tandemwrapperrun.cpp b/src/pappsomspp/processing/tandemwrapper/tandemwrapperrun.cpp index 5200b71ba0c887f52d218ffbb409de94c25631da..cf1f7178a74bbf670dfcac8021a8b0a24bc5b927 100644 --- a/src/pappsomspp/processing/tandemwrapper/tandemwrapperrun.cpp +++ b/src/pappsomspp/processing/tandemwrapper/tandemwrapperrun.cpp @@ -329,8 +329,6 @@ TandemWrapperRun::wrapTandemInputFile(const QString &tandem_input_file) // convert to mzXML QString original_msdata_file_name = wrap_input.getOriginalMsDataFileName(); - qDebug() << "DDDDDDDDDDD" << original_msdata_file_name - << wrap_input.getOriginalTandemOutputFileName(); convertOrginalMsData2mzXmlData(original_msdata_file_name, mzxml_data_file_name); @@ -374,7 +372,7 @@ TandemWrapperRun::convertOrginalMsData2mzXmlData(const QString &origin, ms2filter.get()->push_back( std::make_shared<FilterChargeDeconvolution>( - pappso::PrecisionFactory::getDaltonInstance(0.01))); + pappso::PrecisionFactory::getDaltonInstance(0.02))); tims2_reader->setMs2FilterCstSPtr(ms2filter); }