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PeptideHit::PeakAnnotation Struct Reference

Contains annotations of a peak. More...

#include <OpenMS/METADATA/PeptideHit.h>

Public Member Functions

bool operator< (const PeptideHit::PeakAnnotation &other) const
 
bool operator== (const PeptideHit::PeakAnnotation &other) const
 

Public Attributes

String annotation
 
int charge
 
double mz
 
double intensity
 

Detailed Description

Contains annotations of a peak.

The mz and intensity values contain the same information as a spectrum would have about the peaks, and can be used to map the additional information to the correct peak or reconstruct the annotated spectrum. Additionally the charge of the peak and an arbitrary string annotaion can be stored. The string annotation can be e.g. a fragment type like "y3". This information can be used e.g. to label peaks in TOPPView.

The specific application in OpenProXL uses a more complex syntax to define the larger number of different ion types found in XL-MS data. In the example "[alpha|ci$y3-H2O-NH3]" "alpha" or "beta" determines on which of the two peptides the fragmentation occured, "ci" or "xi" determines whether the cross-link and with it the other peptide is contained in the fragment, and the last part is the ion type with the fragmentation position (index) and losses. The separators "|" and "$" are used to separate the parts easily when parsing the annotation.

Member Function Documentation

◆ operator<()

bool operator< ( const PeptideHit::PeakAnnotation other) const
inline

◆ operator==()

bool operator== ( const PeptideHit::PeakAnnotation other) const
inline

Member Data Documentation

◆ annotation

String annotation

◆ charge

int charge

◆ intensity

double intensity

◆ mz

double mz

OpenMS / TOPP release 2.3.0 Documentation generated on Tue Jan 9 2018 18:22:11 using doxygen 1.8.13