Fix for GSH plot

line 172: there was an ii missing so all data in batch were
accumulatively plotted on output. Fixed now

- Structure output on plot, GABA+/H20 changed to .p.target. in case of
GSH
- Structure output on GSH without water plot missing an ii for fiterror

Still to do: actually not have word GABA hardcoded in output structure
(e.g. gabaconc), but for future