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SIPPeptide Struct Reference

datastructure for reporting a peptide with one or more incorporation rates comparator for vectors of SIPPeptides based on their size. Used to sort by group size. More...

Public Attributes

AASequence sequence
 sequence of the peptide More...
 
vector< String > accessions
 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< double > reconstruction_monoistopic
 signal reconstruction of natural peptide (at mono-isotopic peak) More...
 
PeakSpectrum accumulated
 
vector< SIPIncorporationincorporations
 
IsotopePatterns patterns
 
vector< PeakSpectrum > pattern_spectra
 

Detailed Description

datastructure for reporting a peptide with one or more incorporation rates comparator for vectors of SIPPeptides based on their size. Used to sort by group size.

Member Data Documentation

vector<String> accessions
PeakSpectrum accumulated
Int charge
MapRateToScoreType correlation_map
vector<RateScorePair> correlation_maxima
MapRateToScoreType decomposition_map
double explained_TIC_fraction
double feature_mz
double feature_rt

measurement time of feature apex [s]

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

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_().

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_().

vector<SIPIncorporation> incorporations
double mass_diff
double mass_theo

uncharged theoretical mass

Referenced by TOPPMetaProSIP::main_().

double mz_theo
Size non_zero_decomposition_coefficients
vector<PeakSpectrum> pattern_spectra

Referenced by TOPPMetaProSIP::main_().

IsotopePatterns patterns

Referenced by TOPPMetaProSIP::main_().

PeakSpectrum reconstruction

signal reconstruction (debugging)

Referenced by MetaProSIPDecomposition::calculateDecompositionWeightsIsotopicPatterns().

vector<double> reconstruction_monoistopic

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

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

double RR
double score

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

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

AASequence sequence
bool unique

if the peptide is unique and therefor identifies the protein umambigously

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


OpenMS / TOPP release 2.1.0 Documentation generated on Tue Jan 24 2017 18:58:48 using doxygen 1.8.11