diff --git a/src/core/peptideevidence.cpp b/src/core/peptideevidence.cpp index d0eb2f59ce4b2a60035ea5f55c456798056c8e69..ee20bb8785c3f09c7ee66dca000bd13a539f7ffa 100644 --- a/src/core/peptideevidence.cpp +++ b/src/core/peptideevidence.cpp @@ -126,8 +126,8 @@ pappso::mz PeptideEvidence::getDeltaMass() const { pappso::mz PeptideEvidence::getPpmDeltaMass() const { //return (_peptide_sp.get()->getMz(1) - (_exp_mass+pappso::MHPLUS)); pappso::pappso_double diff = getDeltaMass(); - while (diff < -0.5) { - diff = diff + pappso::DIFFC12C13; + while (diff > 0.5) { + diff = diff - pappso::DIFFC12C13; } diff = (diff / getPeptideXtpSp().get()->getMz(1)) * pappso::ONEMILLION; return diff;