| OpenMS 2.5.0

Public Member Functions | Static Public Member Functions | Public Attributes | List of all members
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

## Static Public Member Functions

static void | writePeakAnnotationsString_ (String &annotation_string, std::vector< PeptideHit::PeakAnnotation > annotations)

## Public Attributes

String | annotation = ""
int | charge = 0
double | mz = -1.
double | intensity = 0.

## 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 annotation 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$y3-H2O-NH3]" "alpha" or "beta" determines on which of the two peptides the fragmentation occurred, "ci" or "xi" determines whether the cross-link and with it the other peptide is contained in the fragment, and the last part is the ion type with the fragmentation position (index) and losses. The separators "|" and "$" are used to separate the parts easily when parsing the annotation.

## Member Function Documentation

## ◆ operator<()

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

inline

References PeptideHit::PeakAnnotation::annotation, PeptideHit::PeakAnnotation::charge, PeptideHit::PeakAnnotation::intensity, and PeptideHit::PeakAnnotation::mz.

## ◆ operator==()

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

inline

References PeptideHit::PeakAnnotation::annotation, PeptideHit::PeakAnnotation::charge, PeptideHit::PeakAnnotation::intensity, and PeptideHit::PeakAnnotation::mz.

## ◆ writePeakAnnotationsString_()

static void writePeakAnnotationsString_ | ( | String & | annotation_string,
|  | std::vector< PeptideHit::PeakAnnotation > | annotations
| ) |  |

inline static

References String::quote().

## Member Data Documentation

## ◆ annotation

String annotation = ""

Referenced by PeptideHit::PeakAnnotation::operator<(), and PeptideHit::PeakAnnotation::operator==().

## ◆ charge

int charge = 0

Referenced by PeptideHit::PeakAnnotation::operator<(), and PeptideHit::PeakAnnotation::operator==().

## ◆ intensity

double intensity = 0.

Referenced by PeptideHit::PeakAnnotation::operator<(), and PeptideHit::PeakAnnotation::operator==().

## ◆ mz

double mz = -1.

Referenced by PeptideHit::PeakAnnotation::operator<(), and PeptideHit::PeakAnnotation::operator==().