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 = 0
	reference to pair of spectra More...

Size	scan_index_heavy = 0

double	score = 0
	final score More...

Size	rank = 0
	rank among the matches to the same spectrum More...

double	xquest_score = 0
	counts, scores and other data for xQuest-like output More...

double	pre_score = 0

double	percTIC = 0

double	wTIC = 0

double	wTICold = 0

double	int_sum = 0

double	intsum_alpha = 0

double	intsum_beta = 0

double	total_current = 0

double	precursor_error_ppm = 0

double	match_odds = 0

double	match_odds_alpha = 0

double	match_odds_beta = 0

double	log_occupancy = 0

double	log_occupancy_alpha = 0

double	log_occupancy_beta = 0

double	xcorrx_max = 0

double	xcorrc_max = 0

Size	matched_linear_alpha = 0

Size	matched_linear_beta = 0

Size	matched_xlink_alpha = 0

Size	matched_xlink_beta = 0

double	num_iso_peaks_mean = 0

double	num_iso_peaks_mean_linear_alpha = 0

double	num_iso_peaks_mean_linear_beta = 0

double	num_iso_peaks_mean_xlinks_alpha = 0

double	num_iso_peaks_mean_xlinks_beta = 0

double	ppm_error_abs_sum_linear_alpha = 0

double	ppm_error_abs_sum_linear_beta = 0

double	ppm_error_abs_sum_xlinks_alpha = 0

double	ppm_error_abs_sum_xlinks_beta = 0

double	ppm_error_abs_sum_linear = 0

double	ppm_error_abs_sum_xlinks = 0

double	ppm_error_abs_sum_alpha = 0

double	ppm_error_abs_sum_beta = 0

double	ppm_error_abs_sum = 0

int	precursor_correction = 0

double	precursor_total_intensity = 0

double	precursor_target_intensity = 0

double	precursor_signal_proportion = 0

Size	precursor_target_peak_count = 0

Size	precursor_residual_peak_count = 0

std::vector< PeptideHit::PeakAnnotation >	frag_annotations

Size	peptide_id_index = 0

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 OPXLDataStructs::CLSMScoreComparator::operator()().

◆ frag_annotations

std::vector<PeptideHit::PeakAnnotation> frag_annotations

◆ int_sum

double int_sum = 0

◆ intsum_alpha

double intsum_alpha = 0

◆ intsum_beta

double intsum_beta = 0

◆ log_occupancy

double log_occupancy = 0

◆ log_occupancy_alpha

double log_occupancy_alpha = 0

◆ log_occupancy_beta

double log_occupancy_beta = 0

◆ match_odds

double match_odds = 0

◆ match_odds_alpha

double match_odds_alpha = 0

◆ match_odds_beta

double match_odds_beta = 0

◆ matched_linear_alpha

Size matched_linear_alpha = 0

◆ matched_linear_beta

Size matched_linear_beta = 0

◆ matched_xlink_alpha

Size matched_xlink_alpha = 0

◆ matched_xlink_beta

Size matched_xlink_beta = 0

◆ num_iso_peaks_mean

double num_iso_peaks_mean = 0

◆ num_iso_peaks_mean_linear_alpha

double num_iso_peaks_mean_linear_alpha = 0

◆ num_iso_peaks_mean_linear_beta

double num_iso_peaks_mean_linear_beta = 0

◆ num_iso_peaks_mean_xlinks_alpha

double num_iso_peaks_mean_xlinks_alpha = 0

◆ num_iso_peaks_mean_xlinks_beta

double num_iso_peaks_mean_xlinks_beta = 0

◆ peptide_id_index

Size peptide_id_index = 0

◆ percTIC

double percTIC = 0

◆ ppm_error_abs_sum

double ppm_error_abs_sum = 0

◆ ppm_error_abs_sum_alpha

double ppm_error_abs_sum_alpha = 0

◆ ppm_error_abs_sum_beta

double ppm_error_abs_sum_beta = 0

◆ ppm_error_abs_sum_linear

double ppm_error_abs_sum_linear = 0

◆ ppm_error_abs_sum_linear_alpha

double ppm_error_abs_sum_linear_alpha = 0

◆ ppm_error_abs_sum_linear_beta

double ppm_error_abs_sum_linear_beta = 0

◆ ppm_error_abs_sum_xlinks

double ppm_error_abs_sum_xlinks = 0

◆ ppm_error_abs_sum_xlinks_alpha

double ppm_error_abs_sum_xlinks_alpha = 0

◆ ppm_error_abs_sum_xlinks_beta

double ppm_error_abs_sum_xlinks_beta = 0

◆ pre_score

double pre_score = 0

◆ precursor_correction

int precursor_correction = 0

◆ precursor_error_ppm

double precursor_error_ppm = 0

◆ precursor_residual_peak_count

Size precursor_residual_peak_count = 0

◆ precursor_signal_proportion

double precursor_signal_proportion = 0

◆ precursor_target_intensity

double precursor_target_intensity = 0

◆ precursor_target_peak_count

Size precursor_target_peak_count = 0

◆ precursor_total_intensity

double precursor_total_intensity = 0

◆ rank

Size rank = 0

rank among the matches to the same spectrum

◆ scan_index_heavy

Size scan_index_heavy = 0

◆ scan_index_light

Size scan_index_light = 0

reference to pair of spectra

◆ score

double score = 0

final score