+ " does not have a mass list called '" + massListName
+ "'";
return;
}
MSMSScore score = MSMSScoreCalculator.evaluateMSMS(cdkFormula,
msmsScan, msmsParameters);
double minMSMSScore = msmsParameters.getParameter(
MSMSScoreParameters.msmsMinScore).getValue();
if (score != null) {
msmsScore = score.getScore();
msmsAnnotations = score.getAnnotation();
// Check the MS/MS condition
if (msmsScore < minMSMSScore) {
return;
}