Bug fix for neutral mass calculation (Introduced from v0.1.3 - #8)
Be aware if you have used the tool since version 0.1.3 either through github or the test-toolshed this will have affected the results
Additional adduct forms for negative added
Version system changed to IUC style (TOOL_VERSION+GALAXY_TOOL_VERSION)
Memory regex check added to stdio - should now repeat at higher memory if low memory error found #12
Update unit-tests to use RP022611 MassBank data (Glucose). Previous MassBank unitest was not appropriate. Now we are using RP022611 dataset we can validate the results from MetFrag. i.e. in this case the results show that D-Glucose (and very similar compounds) are in the results. Additional unit-tests like this could be useful