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| void | getBYSeries (AASequence &a, std::vector< double > &bseries, std::vector< double > &yseries, UInt charge=1u) |
| | Helper functions for the DIA scoring of OpenSWATH. More...
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| void | getTheorMasses (AASequence &a, std::vector< double > &masses, UInt charge=1u) |
| | for SWATH – get the theoretical b and y series masses for a sequence More...
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| void | getAveragineIsotopeDistribution (double product_mz, std::vector< std::pair< double, double > > &isotopesSpec, double charge=1., int nr_isotopes=4, double mannmass=1.00048) |
| | get averagine distribution given mass More...
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| void | simulateSpectrumFromAASequence (AASequence &aa, std::vector< double > &firstIsotopeMasses, std::vector< std::pair< double, double > > &isotopeMasses, double charge=1.) |
| | simulate spectrum from AASequence More...
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| void | modifyMassesByCharge (const std::vector< std::pair< double, double > > &masses, std::vector< std::pair< double, double > > &modmass, double charge=1.) |
| | modify masses by charge More...
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| void | addPreisotopeWeights (const std::vector< double > &firstIsotopeMasses, std::vector< std::pair< double, double > > &isotopeSpec, UInt nrpeaks=2, double preIsotopePeaksWeight=-0.5, double mannmass=1.000482, double charge=1.) |
| | add negative pre-isotope weights to spectrum More...
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| void | addIsotopes2Spec (const std::vector< std::pair< double, double > > &spec, std::vector< std::pair< double, double > > &isotopeMasses, double charge=1.) |
| | given an experimental spectrum add isotope pattern. More...
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| void | sortByFirst (std::vector< std::pair< double, double > > &tmp) |
| | sorts vector of pairs by first More...
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| void | extractFirst (const std::vector< std::pair< double, double > > &peaks, std::vector< double > &mass) |
| | extract first from vector of pairs More...
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| void | extractSecond (const std::vector< std::pair< double, double > > &peaks, std::vector< double > &mass) |
| | extract second from vector of pairs More...
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