49 std::size_t scan_index_begin,
50 std::size_t scan_index_end,
51 std::size_t max_traces)
60 timsframe_sptr.get()->combineScansInTofIndexIntensityMap(
61 raw_spectrum, scan_index_begin, scan_index_end);
68 total_spectrum.push_back(
73 qDebug() << total_spectrum.size();
77 for(std::size_t i = scan_index_begin; i < (scan_index_end + 1); i++)
82 for(
auto &datapoint : total_spectrum)
85 timsframe_sptr.get()->getIonMobilityTraceByTofIndexRange(
100const std::vector<pappso::TraceCstSPtr> &
105const std::vector<std::size_t> &
110const std::vector<double>
115 if(mz_calibration_p ==
nullptr)
118 QObject::tr(
"mz calibration pointer not found"));
120 std::vector<double> mz_list;
127const std::vector<std::size_t> &
virtual double getMzFromTofIndex(quint32 tof_index)=0
get m/z from time of flight raw index
const std::vector< quint32 > & getTofIndexList() const
std::size_t readIntensity(quint32)
reads intensity for a tof_index
static TimsDataFastMap & getTimsDataFastMapInstance()
void extractMobilityTraces(pappso::TimsFrameCstSPtr timsframe_sptr, std::size_t ion_mob_begin, std::size_t ion_mob_end, std::size_t max_traces)
pappso::TimsFrameCstSPtr mcsp_timsFrameCstSPtr
const std::vector< std::size_t > & getScanIndexList() const
std::vector< std::size_t > m_tofIndexList
std::vector< pappso::TraceCstSPtr > m_ionMobTraceList
TimsFrameMobilityTraces()
const std::vector< double > getMzList() const
std::vector< std::size_t > m_scanIndexList
const std::vector< std::size_t > & getTofIndexList() const
~TimsFrameMobilityTraces()
const std::vector< pappso::TraceCstSPtr > & getIonMobTraceList() const
A simple container of DataPoint instances.
void sortY(SortOrder sort_order=SortOrder::ascending)
TraceSPtr makeTraceSPtr() const
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
std::shared_ptr< const TimsFrame > TimsFrameCstSPtr