OpenMS
2.4.0
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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< RateScorePair > | correlation_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< SIPIncorporation > | incorporations |
IsotopePatterns | patterns |
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.
vector<String> accessions |
protein accessions of the peptide
Referenced by MetaProSIPReporting::createCSVReport(), MetaProSIPReporting::createPeptideCentricCSVReport(), and TOPPMetaProSIP::main_().
PeakSpectrum accumulated |
Referenced by MetaProSIPReporting::createPeptideCentricCSVReport(), and TOPPMetaProSIP::main_().
Int charge |
charge of the peptide feature
Referenced by MetaProSIPDecomposition::calculateDecompositionWeightsIsotopicPatterns(), MetaProSIPReporting::createPeptideCentricCSVReport(), TOPPMetaProSIP::extractIncorporationsAtCorrelationMaxima(), TOPPMetaProSIP::extractIncorporationsAtHeighestDecompositionWeights(), and TOPPMetaProSIP::main_().
MapRateToScoreType correlation_map |
vector<RateScorePair> correlation_maxima |
Referenced by TOPPMetaProSIP::extractIncorporationsAtCorrelationMaxima(), and TOPPMetaProSIP::main_().
MapRateToScoreType decomposition_map |
double explained_TIC_fraction |
fraction of the MS2 TIC that is explained by the maximum correlating decomposition weights
Referenced by MetaProSIPReporting::createPeptideCentricCSVReport(), TOPPMetaProSIP::extractIncorporationsAtCorrelationMaxima(), and TOPPMetaProSIP::extractIncorporationsAtHeighestDecompositionWeights().
double feature_mz |
mz of feature apex [s]
Referenced by MetaProSIPReporting::createPeptideCentricCSVReport(), and TOPPMetaProSIP::main_().
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 |
theoretical mz
Referenced by MetaProSIPDecomposition::calculateDecompositionWeightsIsotopicPatterns(), MetaProSIPReporting::createPeptideCentricCSVReport(), TOPPMetaProSIP::extractIncorporationsAtCorrelationMaxima(), TOPPMetaProSIP::extractIncorporationsAtHeighestDecompositionWeights(), and TOPPMetaProSIP::main_().
Size non_zero_decomposition_coefficients |
decomposition coefficients significantly larger than 0
Referenced by MetaProSIPReporting::createPeptideCentricCSVReport(), TOPPMetaProSIP::extractIncorporationsAtCorrelationMaxima(), and TOPPMetaProSIP::extractIncorporationsAtHeighestDecompositionWeights().
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 |
R squared of NNLS fit.
Referenced by MetaProSIPDecomposition::calculateDecompositionWeightsIsotopicPatterns(), and TOPPMetaProSIP::main_().
double score |
search engine score or q-value if fdr filtering is applied
Referenced by MetaProSIPReporting::createPeptideCentricCSVReport(), and TOPPMetaProSIP::main_().
AASequence sequence |
sequence of the peptide
Referenced by MetaProSIPReporting::createCSVReport(), MetaProSIPReporting::createPeptideCentricCSVReport(), and TOPPMetaProSIP::main_().
bool unique |
if the peptide is unique and therefor identifies the protein umambigously
Referenced by MetaProSIPReporting::createCSVReport(), MetaProSIPReporting::createPeptideCentricCSVReport(), and TOPPMetaProSIP::main_().