OpenMS  2.4.0
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SIPPeptide Struct Reference

datastructure for reporting a peptide with one or more incorporation rates More...

Public Attributes

AASequence sequence
 sequence of the peptide More...
 
vector< Stringaccessions
 protein accessions of the peptide More...
 
bool unique
 if the peptide is unique and therefor identifies the protein umambigously More...
 
double mz_theo
 theoretical mz More...
 
double mass_theo
 uncharged theoretical mass More...
 
double score
 search engine score or q-value if fdr filtering is applied More...
 
double feature_rt
 measurement time of feature apex [s] More...
 
double feature_mz
 mz of feature apex [s] More...
 
Int charge
 charge of the peptide feature More...
 
double mass_diff
 
double global_LR
 labeling ratio for the whole spectrum used to detect global drifts. 13C/(12C+13C) intensities. (15N analogous) More...
 
vector< RateScorePaircorrelation_maxima
 
MapRateToScoreType decomposition_map
 
MapRateToScoreType correlation_map
 
double RR
 R squared of NNLS fit. More...
 
double explained_TIC_fraction
 fraction of the MS2 TIC that is explained by the maximum correlating decomposition weights More...
 
String feature_type
 used to distinguish features from FeatureFinder, or synthetised from ids or averagine ids in reporting More...
 
Size non_zero_decomposition_coefficients
 decomposition coefficients significantly larger than 0 More...
 
PeakSpectrum reconstruction
 signal reconstruction (debugging) More...
 
vector< doublereconstruction_monoistopic
 signal reconstruction of natural peptide (at mono-isotopic peak) More...
 
PeakSpectrum accumulated
 
vector< SIPIncorporationincorporations
 
IsotopePatterns patterns
 

Detailed Description

datastructure for reporting a peptide with one or more incorporation rates

Member Data Documentation

◆ accessions

vector<String> accessions

◆ accumulated

PeakSpectrum accumulated

◆ charge

Int charge

◆ correlation_map

MapRateToScoreType correlation_map

◆ correlation_maxima

vector<RateScorePair> correlation_maxima

◆ decomposition_map

MapRateToScoreType decomposition_map

◆ explained_TIC_fraction

double explained_TIC_fraction

◆ feature_mz

double feature_mz

◆ feature_rt

double feature_rt

measurement time of feature apex [s]

Referenced by MetaProSIPReporting::createPeptideCentricCSVReport(), and TOPPMetaProSIP::main_().

◆ feature_type

String feature_type

used to distinguish features from FeatureFinder, or synthetised from ids or averagine ids in reporting

Referenced by MetaProSIPReporting::createPeptideCentricCSVReport(), and TOPPMetaProSIP::main_().

◆ global_LR

double global_LR

labeling ratio for the whole spectrum used to detect global drifts. 13C/(12C+13C) intensities. (15N analogous)

Referenced by MetaProSIPReporting::createPeptideCentricCSVReport(), and TOPPMetaProSIP::main_().

◆ incorporations

vector<SIPIncorporation> incorporations

◆ mass_diff

double mass_diff

◆ mass_theo

double mass_theo

uncharged theoretical mass

Referenced by TOPPMetaProSIP::main_().

◆ mz_theo

double mz_theo

◆ non_zero_decomposition_coefficients

Size non_zero_decomposition_coefficients

◆ patterns

IsotopePatterns patterns

Referenced by TOPPMetaProSIP::main_().

◆ reconstruction

PeakSpectrum reconstruction

signal reconstruction (debugging)

Referenced by MetaProSIPDecomposition::calculateDecompositionWeightsIsotopicPatterns().

◆ reconstruction_monoistopic

vector<double> reconstruction_monoistopic

signal reconstruction of natural peptide (at mono-isotopic peak)

Referenced by MetaProSIPDecomposition::calculateDecompositionWeightsIsotopicPatterns(), and TOPPMetaProSIP::main_().

◆ RR

double RR

◆ score

double score

search engine score or q-value if fdr filtering is applied

Referenced by MetaProSIPReporting::createPeptideCentricCSVReport(), and TOPPMetaProSIP::main_().

◆ sequence

AASequence sequence

◆ unique

bool unique

if the peptide is unique and therefor identifies the protein umambigously

Referenced by MetaProSIPReporting::createCSVReport(), MetaProSIPReporting::createPeptideCentricCSVReport(), and TOPPMetaProSIP::main_().