35 #ifndef OPENMS_ANALYSIS_OPENSWATH_MRMIONSERIES_H
36 #define OPENMS_ANALYSIS_OPENSWATH_MRMIONSERIES_H
40 #include <boost/unordered_map.hpp>
41 #include <boost/assign.hpp>
72 typedef boost::unordered_map<String, double>
IonSeries;
83 std::pair<String, double> getIon(IonSeries ionseries,
String ionid);
95 std::pair<String, double> annotateIon(IonSeries ionseries,
double ProductMZ,
double mz_threshold);
120 void annotateTransition(
ReactionMonitoringTransition& tr,
const TargetedExperiment::Peptide peptide,
const double mz_threshold,
bool enable_reannotation, std::vector<String> fragment_types, std::vector<size_t> fragment_charges,
bool enable_losses,
int round_decPow = -4);
133 IonSeries getIonSeries(
AASequence sequence,
size_t precursor_charge, std::vector<String> fragment_types, std::vector<size_t> fragment_charges,
bool enable_losses,
int round_decPow = -4);
A more convenient string class.
Definition: String.h:57
Representation of controlled vocabulary term list.
Definition: CVTermList.h:54
Representation of a peptide/protein sequence.
Definition: AASequence.h:70
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
boost::unordered_map< String, double > IonSeries
Definition: MRMIonSeries.h:72
Generate theoretical fragment ion series for use in MRMAssay and MRMDecoy.
Definition: MRMIonSeries.h:56
Definition: TargetedExperimentHelper.h:211
This class stores a SRM/MRM transition.
Definition: ReactionMonitoringTransition.h:55