mass delta checked

src/core/peptidematch.cpp

@@ -52,7 +52,7 @@ void PeptideMatch::setStart(unsigned int start) {
     _start =start;
 }
 pappso::mz PeptideMatch::getDeltaMass() const {
-    return ((_exp_mass+pappso::MHPLUS) - _peptide_sp.get()->getMz(1));
+    return (_peptide_sp.get()->getMz(1) - (_exp_mass+pappso::MHPLUS));
 }
 unsigned int PeptideMatch::getStart() const {
     return _start;

src/core/peptidematch.h

@@ -73,6 +73,7 @@ public :
     void updateAutomaticFilters(const AutomaticFilterParameters & automatic_filter_parameters);
     
     /** @brief get delta between theoretical mhplus mass and mhplus experimental mass
+     * theoretical mhplus mass - mhplus experimental mass
       */
     pappso::mz getDeltaMass() const;
     

src/gui/project_view/projectwindow.cpp

@@ -175,7 +175,8 @@ void ProjectWindow::computeMassPrecision(ValidationState state) {
 
     pappso::pappso_double sd = 0;
     for (pappso::pappso_double val : delta_list) {
-        sd = sd + ((val - mean) * (val - mean));
+        //sd = sd + ((val - mean) * (val - mean));
+        sd += std::pow((val - mean), 2);
     }
     sd = sd / delta_list.size();
     sd = std::sqrt(sd);