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OPXLDataStructs::CrossLinkSpectrumMatch Struct Reference

The CrossLinkSpectrumMatch struct represents a PSM between a ProteinProteinCrossLink and a spectrum in OpenPepXL. More...

#include <OpenMS/ANALYSIS/XLMS/OPXLDataStructs.h>

Public Member Functions

bool operator< (const CrossLinkSpectrumMatch &other) const
 
bool operator== (const CrossLinkSpectrumMatch &other) const
 

Public Attributes

ProteinProteinCrossLink cross_link
 structure of the cross-link More...
 
Size scan_index_light
 reference to pair of spectra More...
 
Size scan_index_heavy
 
double score
 final score More...
 
Size rank
 rank among the matches to the same spectrum More...
 
double pre_score
 counts, scores and other data for xQuest-like output More...
 
double percTIC
 
double wTIC
 
double int_sum
 
double match_odds
 
std::vector< doublexcorrx
 
double xcorrx_max
 
std::vector< doublexcorrc
 
double xcorrc_max
 
Size matched_common_alpha
 
Size matched_common_beta
 
Size matched_xlink_alpha
 
Size matched_xlink_beta
 
double HyperCommon
 
double HyperXlink
 
double HyperAlpha
 
double HyperBeta
 
double HyperBoth
 
double PScoreCommon
 
double PScoreXlink
 
double PScoreAlpha
 
double PScoreBeta
 
double PScoreBoth
 
std::vector< PeptideHit::PeakAnnotationfrag_annotations
 
Size peptide_id_index
 

Detailed Description

The CrossLinkSpectrumMatch struct represents a PSM between a ProteinProteinCrossLink and a spectrum in OpenPepXL.

This struct contains a ProteinProteinCrossLink and indices to one or two spectra. It also contains the results of a match between the ProteinProteinCrossLink and these spectra as scores and peak annotations. Used as a temporary container to collect results efficiently, since only a few top matches will be kept for each experimental spectrum for output.

Member Function Documentation

◆ operator<()

bool operator< ( const CrossLinkSpectrumMatch other) const
inline

◆ operator==()

bool operator== ( const CrossLinkSpectrumMatch other) const
inline

References OPXLDataStructs::CrossLinkSpectrumMatch::cross_link, OPXLDataStructs::CrossLinkSpectrumMatch::HyperAlpha, OPXLDataStructs::CrossLinkSpectrumMatch::HyperBeta, OPXLDataStructs::CrossLinkSpectrumMatch::HyperBoth, OPXLDataStructs::CrossLinkSpectrumMatch::HyperCommon, OPXLDataStructs::CrossLinkSpectrumMatch::HyperXlink, OPXLDataStructs::CrossLinkSpectrumMatch::int_sum, OPXLDataStructs::CrossLinkSpectrumMatch::match_odds, OPXLDataStructs::CrossLinkSpectrumMatch::matched_common_alpha, OPXLDataStructs::CrossLinkSpectrumMatch::matched_common_beta, OPXLDataStructs::CrossLinkSpectrumMatch::matched_xlink_alpha, OPXLDataStructs::CrossLinkSpectrumMatch::matched_xlink_beta, OPXLDataStructs::CrossLinkSpectrumMatch::percTIC, OPXLDataStructs::CrossLinkSpectrumMatch::pre_score, OPXLDataStructs::CrossLinkSpectrumMatch::PScoreAlpha, OPXLDataStructs::CrossLinkSpectrumMatch::PScoreBeta, OPXLDataStructs::CrossLinkSpectrumMatch::PScoreBoth, OPXLDataStructs::CrossLinkSpectrumMatch::PScoreCommon, OPXLDataStructs::CrossLinkSpectrumMatch::PScoreXlink, OPXLDataStructs::CrossLinkSpectrumMatch::rank, OPXLDataStructs::CrossLinkSpectrumMatch::scan_index_heavy, OPXLDataStructs::CrossLinkSpectrumMatch::scan_index_light, OPXLDataStructs::CrossLinkSpectrumMatch::score, OPXLDataStructs::CrossLinkSpectrumMatch::wTIC, OPXLDataStructs::CrossLinkSpectrumMatch::xcorrc, OPXLDataStructs::CrossLinkSpectrumMatch::xcorrc_max, OPXLDataStructs::CrossLinkSpectrumMatch::xcorrx, and OPXLDataStructs::CrossLinkSpectrumMatch::xcorrx_max.

Member Data Documentation

◆ cross_link

◆ frag_annotations

std::vector<PeptideHit::PeakAnnotation> frag_annotations

◆ HyperAlpha

double HyperAlpha

◆ HyperBeta

double HyperBeta

◆ HyperBoth

double HyperBoth

◆ HyperCommon

double HyperCommon

◆ HyperXlink

double HyperXlink

◆ int_sum

double int_sum

◆ match_odds

double match_odds

◆ matched_common_alpha

Size matched_common_alpha

◆ matched_common_beta

Size matched_common_beta

◆ matched_xlink_alpha

Size matched_xlink_alpha

◆ matched_xlink_beta

Size matched_xlink_beta

◆ peptide_id_index

Size peptide_id_index

◆ percTIC

double percTIC

◆ pre_score

double pre_score

counts, scores and other data for xQuest-like output

Referenced by TOPPOpenPepXLLF::main_(), TOPPOpenPepXL::main_(), and OPXLDataStructs::CrossLinkSpectrumMatch::operator==().

◆ PScoreAlpha

double PScoreAlpha

◆ PScoreBeta

double PScoreBeta

◆ PScoreBoth

double PScoreBoth

◆ PScoreCommon

double PScoreCommon

◆ PScoreXlink

double PScoreXlink

◆ rank

Size rank

rank among the matches to the same spectrum

Referenced by OPXLDataStructs::CrossLinkSpectrumMatch::operator==().

◆ scan_index_heavy

Size scan_index_heavy

◆ scan_index_light

Size scan_index_light

◆ score

double score

◆ wTIC

double wTIC

◆ xcorrc

std::vector< double > xcorrc

◆ xcorrc_max

double xcorrc_max

◆ xcorrx

std::vector< double > xcorrx

◆ xcorrx_max

double xcorrx_max

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