60 NUMBER_OF_CROSS_LINK_TYPES
85 if (!beta.
empty())
return CROSS;
87 if (cross_link_position.second == -1)
return MONO;
94 return alpha == other.
alpha &&
304 for (
Size i = 0; i != size; ++i)
The AASeqWithMassComparator is a comparator for AASeqWithMass objects.
Definition: OPXLDataStructs.h:272
Size matched_xlink_alpha
Definition: OPXLDataStructs.h:149
double percTIC
Definition: OPXLDataStructs.h:130
double wTIC
Definition: OPXLDataStructs.h:131
A more convenient string class.
Definition: String.h:57
ProteinProteinCrossLinkType
The ProteinProteinCrossLinkType enum enumerates possible types of Protein-Protein cross-linking react...
Definition: OPXLDataStructs.h:55
int precursor_correction
Definition: OPXLDataStructs.h:81
double match_odds_alpha
Definition: OPXLDataStructs.h:140
void addSpectrum(const MSSpectrum &spectrum)
adds a spectrum to the list
ResidueModification::TermSpecificity term_spec_alpha
Definition: OPXLDataStructs.h:79
unsigned int beta_index
Definition: OPXLDataStructs.h:213
MSExperiment spectra_xlink_peaks
Definition: OPXLDataStructs.h:298
double num_iso_peaks_mean
Definition: OPXLDataStructs.h:152
double num_iso_peaks_mean_xlinks_beta
Definition: OPXLDataStructs.h:156
The XLPrecursorComparator is a comparator for XLPrecursors, that allows direct comparison of the XLPr...
Definition: OPXLDataStructs.h:222
std::vector< PeptideHit::PeakAnnotation > frag_annotations
Definition: OPXLDataStructs.h:170
double ppm_error_abs_sum_linear_beta
Definition: OPXLDataStructs.h:159
double total_current
Definition: OPXLDataStructs.h:136
Representation of a peptide/protein sequence.
Definition: AASequence.h:107
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
double ppm_error_abs_sum_linear
Definition: OPXLDataStructs.h:162
int precursor_correction
Definition: OPXLDataStructs.h:168
double intsum_alpha
Definition: OPXLDataStructs.h:134
double xcorrx_max
Definition: OPXLDataStructs.h:145
The CrossLinkSpectrumMatch struct represents a PSM between a ProteinProteinCrossLink and a spectrum i...
Definition: OPXLDataStructs.h:112
ProteinProteinCrossLinkType getType() const
Definition: OPXLDataStructs.h:83
double ppm_error_abs_sum_xlinks
Definition: OPXLDataStructs.h:163
double ppm_error_abs_sum_xlinks_alpha
Definition: OPXLDataStructs.h:160
ResidueModification::TermSpecificity term_spec_beta
Definition: OPXLDataStructs.h:80
double xcorrc_max
Definition: OPXLDataStructs.h:146
Size scan_index_heavy
Definition: OPXLDataStructs.h:119
PreprocessedPairSpectra(Size size)
Definition: OPXLDataStructs.h:302
double ppm_error_abs_sum_xlinks_beta
Definition: OPXLDataStructs.h:161
double num_iso_peaks_mean_xlinks_alpha
Definition: OPXLDataStructs.h:155
AASequence peptide_seq
Definition: OPXLDataStructs.h:263
double num_iso_peaks_mean_linear_beta
Definition: OPXLDataStructs.h:154
double pre_score
Definition: OPXLDataStructs.h:129
Definition: OPXLDataStructs.h:47
The PreprocessedPairSpectra struct represents the result of comparing a light and a heavy labeled spe...
Definition: OPXLDataStructs.h:294
bool operator==(const ProteinProteinCrossLink &other) const
Definition: OPXLDataStructs.h:92
The ProteinProteinCrossLink struct represents a cross-link between two peptides in OpenPepXL...
Definition: OPXLDataStructs.h:72
double num_iso_peaks_mean_linear_alpha
Definition: OPXLDataStructs.h:153
double score
final score
Definition: OPXLDataStructs.h:122
Comparator to sort CrossLinkSpectrumMatches by the main score.
Definition: OPXLDataStructs.h:179
TermSpecificity
Position where the modification is allowed to occur.
Definition: ResidueModification.h:95
Size matched_xlink_beta
Definition: OPXLDataStructs.h:150
double match_odds_beta
Definition: OPXLDataStructs.h:141
double wTICold
Definition: OPXLDataStructs.h:132
std::pair< SignedSize, SignedSize > cross_link_position
Definition: OPXLDataStructs.h:76
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:77
double peptide_mass
Definition: OPXLDataStructs.h:262
double match_odds
Definition: OPXLDataStructs.h:139
MSExperiment spectra_linear_peaks
Definition: OPXLDataStructs.h:297
double ppm_error_abs_sum
Definition: OPXLDataStructs.h:166
double xquest_score
counts, scores and other data for xQuest-like output
Definition: OPXLDataStructs.h:128
double intsum_beta
Definition: OPXLDataStructs.h:135
bool empty() const
check if sequence is empty
MSSpectrum PeakSpectrum
Spectrum consisting of raw data points or peaks.
Definition: StandardTypes.h:44
double ppm_error_abs_sum_beta
Definition: OPXLDataStructs.h:165
double precursor_error_ppm
Definition: OPXLDataStructs.h:137
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
double cross_linker_mass
Definition: OPXLDataStructs.h:77
unsigned int alpha_index
Definition: OPXLDataStructs.h:212
MSExperiment spectra_all_peaks
Definition: OPXLDataStructs.h:299
double ppm_error_abs_sum_alpha
Definition: OPXLDataStructs.h:164
The XLPrecursor struct represents a cross-link candidate in the process of filtering candidates by pr...
Definition: OPXLDataStructs.h:209
double log_occupancy_alpha
Definition: OPXLDataStructs.h:143
double ppm_error_abs_sum_linear_alpha
Definition: OPXLDataStructs.h:158
double int_sum
Definition: OPXLDataStructs.h:133
Size matched_linear_beta
Definition: OPXLDataStructs.h:148
Size peptide_id_index
Definition: OPXLDataStructs.h:172
The AASeqWithMass struct represents a normal peptide with its precomputed mass.
Definition: OPXLDataStructs.h:260
AASequence alpha
Definition: OPXLDataStructs.h:74
Size matched_linear_alpha
Definition: OPXLDataStructs.h:147
PeptidePosition position
Definition: OPXLDataStructs.h:264
ProteinProteinCrossLink cross_link
structure of the cross-link
Definition: OPXLDataStructs.h:115
float precursor_mass
Definition: OPXLDataStructs.h:211
double log_occupancy
Definition: OPXLDataStructs.h:142
PeptidePosition
The PeptidePosition enum.
Definition: OPXLDataStructs.h:243
Size scan_index_light
reference to pair of spectra
Definition: OPXLDataStructs.h:118
double log_occupancy_beta
Definition: OPXLDataStructs.h:144
AASequence beta
Definition: OPXLDataStructs.h:75
String cross_linker_name
Definition: OPXLDataStructs.h:78
Size rank
rank among the matches to the same spectrum
Definition: OPXLDataStructs.h:125