OpenMS
2.4.0
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Helper struct for mass traces used in FeatureFinderAlgorithmPicked. More...
#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/FeatureFinderAlgorithmPickedHelperStructs.h>
Public Member Functions | |
ConvexHull2D | getConvexhull () const |
determines the convex hull of the trace More... | |
void | updateMaximum () |
Sets the maximum to the highest contained peak of the trace. More... | |
double | getAvgMZ () const |
Returns the average m/z of all peaks in this trace (weighted by intensity) More... | |
bool | isValid () const |
Checks if this Trace is valid (has more than 2 points) More... | |
Public Attributes | |
const Peak1D * | max_peak |
Maximum peak pointer. More... | |
double | max_rt |
RT of maximum peak. More... | |
double | theoretical_int |
Theoretical intensity value (scaled to [0,1]) More... | |
std::vector< std::pair< double, const Peak1D * > > | peaks |
Contained peaks (pair of RT and pointer to peak) More... | |
Helper struct for mass traces used in FeatureFinderAlgorithmPicked.
double getAvgMZ | ( | ) | const |
Returns the average m/z of all peaks in this trace (weighted by intensity)
ConvexHull2D getConvexhull | ( | ) | const |
determines the convex hull of the trace
bool isValid | ( | ) | const |
Checks if this Trace is valid (has more than 2 points)
void updateMaximum | ( | ) |
Sets the maximum to the highest contained peak of the trace.
const Peak1D* max_peak |
Maximum peak pointer.
double max_rt |
RT of maximum peak.
Contained peaks (pair of RT and pointer to peak)
double theoretical_int |
Theoretical intensity value (scaled to [0,1])