OpenMS: OPXLDataStructs::CrossLinkSpectrumMatch Struct Reference

OpenMS 2.4.0

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

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

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	xquest_score
	counts, scores and other data for xQuest-like output More...

double	pre_score

double	percTIC

double	wTIC

double	wTICold

double	int_sum

double	intsum_alpha

double	intsum_beta

double	total_current

double	precursor_error_ppm

double	match_odds

double	match_odds_alpha

double	match_odds_beta

double	log_occupancy

double	log_occupancy_alpha

double	log_occupancy_beta

double	xcorrx_max

double	xcorrc_max

Size	matched_linear_alpha

Size	matched_linear_beta

Size	matched_xlink_alpha

Size	matched_xlink_beta

double	num_iso_peaks_mean

double	num_iso_peaks_mean_linear_alpha

double	num_iso_peaks_mean_linear_beta

double	num_iso_peaks_mean_xlinks_alpha

double	num_iso_peaks_mean_xlinks_beta

double	ppm_error_abs_sum_linear_alpha

double	ppm_error_abs_sum_linear_beta

double	ppm_error_abs_sum_xlinks_alpha

double	ppm_error_abs_sum_xlinks_beta

double	ppm_error_abs_sum_linear

double	ppm_error_abs_sum_xlinks

double	ppm_error_abs_sum_alpha

double	ppm_error_abs_sum_beta

double	ppm_error_abs_sum

int	precursor_correction

std::vector< PeptideHit::PeakAnnotation >	frag_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 Data Documentation

◆ cross_link

ProteinProteinCrossLink cross_link

structure of the cross-link

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

◆ frag_annotations

std::vector<PeptideHit::PeakAnnotation> frag_annotations

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ int_sum

double int_sum

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ intsum_alpha

double intsum_alpha

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ intsum_beta

double intsum_beta

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ log_occupancy

double log_occupancy

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ log_occupancy_alpha

double log_occupancy_alpha

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ log_occupancy_beta

double log_occupancy_beta

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ match_odds

double match_odds

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ match_odds_alpha

double match_odds_alpha

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ match_odds_beta

double match_odds_beta

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ matched_linear_alpha

Size matched_linear_alpha

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ matched_linear_beta

Size matched_linear_beta

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ matched_xlink_alpha

Size matched_xlink_alpha

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ matched_xlink_beta

Size matched_xlink_beta

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ num_iso_peaks_mean

double num_iso_peaks_mean

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ num_iso_peaks_mean_linear_alpha

double num_iso_peaks_mean_linear_alpha

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ num_iso_peaks_mean_linear_beta

double num_iso_peaks_mean_linear_beta

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ num_iso_peaks_mean_xlinks_alpha

double num_iso_peaks_mean_xlinks_alpha

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ num_iso_peaks_mean_xlinks_beta

double num_iso_peaks_mean_xlinks_beta

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ peptide_id_index

Size peptide_id_index

◆ percTIC

double percTIC

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ ppm_error_abs_sum

double ppm_error_abs_sum

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ ppm_error_abs_sum_alpha

double ppm_error_abs_sum_alpha

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ ppm_error_abs_sum_beta

double ppm_error_abs_sum_beta

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ ppm_error_abs_sum_linear

double ppm_error_abs_sum_linear

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ ppm_error_abs_sum_linear_alpha

double ppm_error_abs_sum_linear_alpha

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ ppm_error_abs_sum_linear_beta

double ppm_error_abs_sum_linear_beta

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ ppm_error_abs_sum_xlinks

double ppm_error_abs_sum_xlinks

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ ppm_error_abs_sum_xlinks_alpha

double ppm_error_abs_sum_xlinks_alpha

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ ppm_error_abs_sum_xlinks_beta

double ppm_error_abs_sum_xlinks_beta

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ pre_score

double pre_score

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ precursor_correction

int precursor_correction

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ precursor_error_ppm

double precursor_error_ppm

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ rank

Size rank

rank among the matches to the same spectrum

◆ scan_index_heavy

Size scan_index_heavy

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ scan_index_light

Size scan_index_light

reference to pair of spectra

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ score

double score

final score

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

◆ total_current

double total_current

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ wTIC

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ wTICold

double wTICold

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ xcorrc_max

double xcorrc_max

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ xcorrx_max

double xcorrx_max

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().

◆ xquest_score

double xquest_score

counts, scores and other data for xQuest-like output

Referenced by TOPPOpenPepXLLF::main_(), and TOPPOpenPepXL::main_().