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Commit 57418e1b authored by Langella Olivier's avatar Langella Olivier
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compute delta observed - theoretical

parent abb9eb16
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......@@ -121,7 +121,7 @@ void PeptideEvidence::setExperimentalMass(pappso::pappso_double exp_mass) {
_exp_mass =exp_mass;
}
pappso::mz PeptideEvidence::getDeltaMass() const {
return (_peptide_sp.get()->getMz(1) - (_exp_mass+pappso::MHPLUS));
return ((_exp_mass+pappso::MHPLUS) - _peptide_sp.get()->getMz(1));
}
pappso::mz PeptideEvidence::getPpmDeltaMass() const {
//return (_peptide_sp.get()->getMz(1) - (_exp_mass+pappso::MHPLUS));
......
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