Setting up NodeSet and EdgeSet...
[1] "3452 negative nodes"

           Adduct      Biotransform          Fragment Natural_abundance           Radical 
             6572              8266               662              8610               591 
Setting up LibrarySet and StructureSet...
start EdgeSet_expand...
[1] "oligomer_multicharge 278"
[1] "experiment_MS2_fragment 4851"
[1] "library_MS2_fragment 7"
Candidate formula pool propagation and scoring...
[1] "Step 1 elapsed="
Time difference of 6.22425 secs
[1] "Step 2 elapsed="
Time difference of 17.20102 secs
[1] "Step 0.01 elapsed="
Time difference of 29.56143 secs
[1] "Step 0.02 elapsed="
Time difference of 44.40112 secs
[1] "Step 0.03 elapsed="
Time difference of 1.177131 mins
[1] "Step 1.01 elapsed="
Time difference of 1.479154 mins
[1] "Step 1.02 elapsed="
Time difference of 1.785869 mins
[1] "Step 1.03 elapsed="
Time difference of 2.348207 mins
setting up CplexSet...
[1] "Finish CplexSet initialization"
[1] "Finish CplexSet scoring"
[1] "Complexity is 264538 variables and 368912 constraints."
     nc      nr CPX_MAX     obj     rhs   sense     beg     cnt     ind     val      lb      ub   ctype 
      1       1       1  264538  368912  368912  264538  264538  836867  836867  264538  264538  264538 
    mat 
      6 
Run optimization...
[1] "Optimization ended successfull - optimal  - OBJ_value = 1989.57"
44.28 sec elapsed
path annotation...
Time difference of 2.684079 mins
NetID total run time:Time difference of 8.619933 mins
