diff --git a/DIA-NN-Setup.msi b/DIA-NN-Setup.msi index bd04227..147cc1e 100644 Binary files a/DIA-NN-Setup.msi and b/DIA-NN-Setup.msi differ diff --git a/DiaNN.exe b/DiaNN.exe index 774aa51..bebe011 100644 Binary files a/DiaNN.exe and b/DiaNN.exe differ diff --git a/src/diann.cpp b/src/diann.cpp index 640e862..e8ee921 100644 --- a/src/diann.cpp +++ b/src/diann.cpp @@ -8613,7 +8613,7 @@ int main(int argc, char *argv[]) { Profile profile(ms_files, lib.entries.size()); if (RTProfiling) for (auto jt = profile.entries.begin(); jt != profile.entries.end(); jt++) if (jt->index >= 0) if (jt->pr.qvalue < MaxProfilingQvalue) { - lib.entries[jt->pr.index].target.iRT = lib.entries[jt->pr.index].decoy.iRT = jt->pr.predicted_iRT; + lib.entries[jt->pr.index].target.iRT = lib.entries[jt->pr.index].decoy.iRT = (!FastaSearch || GuideLibrary || RTLearnLib) ? jt->pr.predicted_iRT : jt->pr.RT; lib.entries[jt->pr.index].best_run = jt->pr.run_index; lib.entries[jt->pr.index].qvalue = jt->pr.qvalue; lib.entries[jt->pr.index].protein_qvalue = jt->pr.protein_qvalue; @@ -8694,7 +8694,7 @@ int main(int argc, char *argv[]) { if (lib.entries[jt->pr.index].qvalue > ReportQValue) lib.entries[jt->pr.index].best_run = -1; else { lib.entries[jt->pr.index].best_run = jt->pr.run_index; - lib.entries[jt->pr.index].target.iRT = (GuideLibrary || GenSpecLib || RTLearnLib) ? jt->pr.predicted_iRT : jt->pr.RT; + lib.entries[jt->pr.index].target.iRT = (GuideLibrary || (GenSpecLib && !FastaSearch) || RTLearnLib) ? jt->pr.predicted_iRT : jt->pr.RT; lib.entries[jt->pr.index].peak = jt->pr.peak; lib.entries[jt->pr.index].apex = jt->pr.apex; lib.entries[jt->pr.index].protein_qvalue = jt->pr.protein_qvalue;