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... | |
DoubleReal | 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 PeakType * | max_peak |
Maximum peak pointer. More... | |
DoubleReal | max_rt |
RT of maximum peak. More... | |
DoubleReal | theoretical_int |
Theoretical intensity value (scaled to [0,1]) More... | |
std::vector< std::pair < DoubleReal, const PeakType * > > | peaks |
Contained peaks (pair of RT and pointer to peak) More... | |
Helper struct for mass traces used in FeatureFinderAlgorithmPicked.
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inline |
Returns the average m/z of all peaks in this trace (weighted by intensity)
References OpenMS::Math::sum().
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inline |
determines the convex hull of the trace
References ConvexHull2D::addPoints().
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inline |
Checks if this Trace is valid (has more than 2 points)
Referenced by FeatureFinderAlgorithmPicked< PeakType, FeatureType >::cropFeature_(), and FeatureFinderAlgorithmPicked< PeakType, FeatureType >::extendMassTraces_().
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inline |
Sets the maximum to the highest contained peak of the trace.
const PeakType* max_peak |
Maximum peak pointer.
DoubleReal max_rt |
RT of maximum peak.
std::vector<std::pair<DoubleReal, const PeakType *> > peaks |
Contained peaks (pair of RT and pointer to peak)
Referenced by FeatureFinderAlgorithmPicked< PeakType, FeatureType >::checkFeatureQuality_(), GaussTraceFitter< PeakType >::computeTheoretical(), EGHTraceFitter< PeakType >::computeTheoretical(), FeatureFinderAlgorithmPicked< PeakType, FeatureType >::cropFeature_(), FeatureFinderAlgorithmPicked< PeakType, FeatureType >::extendMassTrace_(), FeatureFinderAlgorithmPicked< PeakType, FeatureType >::extendMassTraces_(), GaussTraceFitter< PeakType >::jacobian_(), EGHTraceFitter< PeakType >::jacobian_(), GaussTraceFitter< PeakType >::residual_(), and EGHTraceFitter< PeakType >::residual_().
DoubleReal theoretical_int |
Theoretical intensity value (scaled to [0,1])
Referenced by GaussTraceFitter< PeakType >::computeTheoretical(), EGHTraceFitter< PeakType >::computeTheoretical(), FeatureFinderAlgorithmPicked< PeakType, FeatureType >::cropFeature_(), GaussTraceFitter< PeakType >::getGnuplotFormula(), EGHTraceFitter< PeakType >::getGnuplotFormula(), GaussTraceFitter< PeakType >::jacobian_(), EGHTraceFitter< PeakType >::jacobian_(), GaussTraceFitter< PeakType >::residual_(), and EGHTraceFitter< PeakType >::residual_().
OpenMS / TOPP release 1.11.1 | Documentation generated on Thu Nov 14 2013 11:19:34 using doxygen 1.8.5 |