computing ppm delta fixed

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;