This is a custom adaptation of the original version of xMSannotator. It is a complete rewrite of the original functionality, following the same program structure.
Using the HMDB database with ions removed, running one of the test datasets on galaxy causes an error during confidence level estimation.
Joining, by = "peak"
Error in $<-.data.frame(*tmp*, "Module_RTclust", value = c("_7", "_7", :
replacement has 750 rows, data has 500
Calls: source ... FUN -> get_confidence_stage4 -> $<- -> $<-.data.frame
In addition: There were 50 or more warnings (use warnings() to see the first 50)
Execution halted
The run also uses a nearly complete adduct list, so likely goes into some previously not encountered execution path.
Using the HMDB database with ions removed, running one of the test datasets on galaxy causes an error during confidence level estimation.
The run also uses a nearly complete adduct list, so likely goes into some previously not encountered execution path.
See the shared history: https://umsa.cerit-sc.cz/u/hechth/h/lc-workflow-galaxy-page