When I use doLOBscreen with my own generated database I get this error :
Error in doLOBscreen(xsetA, polarity = "positive", database = CPM_db_pos, :
object 'defDB' not found
The error occurs at the end of the following messages:
Initial screening and annotation complete. 943 peakgroups remain in dataset, to which 1804 parent compound identities have been assigned from database.
Identifying and annotating possible regioisomers...
Found 375 possible regioisomers of 281 parent compounds.
Identifying and annotating isobars and possible functional structural isomers...
Found 530 functional structural isomers and 135 isobars, representing 1266 parent compounds.
Hi James,
When I use doLOBscreen with my own generated database I get this error :
The error occurs at the end of the following messages:
Cheers, Rico