Can I ask which model iCarsoft tool and also what the exact function was called - was it called ‘smoothness’?
Mine is an iCarsoft 980 as well. You probably know where to find the function, but in case anyone else wanders this way courtesy of the search function, here's the full list.
Start by ensuring that the engine is running, up to temperature etc. you'll notice that not all iCarsoft diagnostics are available is the ignition is at position 1.
Turn the air conditioning/Thermatic/Thermotronic 'OFF' - it makes a difference!
Select 'Diagnose' NOT 'OBDII Disagnose'. Go through the vehicle selection process. You should now be at the menu that lists all the different modules found.
Select 'ME-SF 12.8 - Motor Electronics' (your ME version number may be slightly different).
Select 'Actual values' -> 'Check Smooth Engine Running' - check that the conditions are met - 'ESC' -> 'Preconditions Smooth Engine Running / Fault Counter' - check that the pre-conditions are met
'ESC' -> 'Smooth Engine Running' -> Look at items 641 onwards, which give angular accelerations for each cylinder. Watch the values for a while. Don't worry about those cylinders that flicker between 0 and +/-6 (I think that's the smallest unit). You're looking for a cylinder or two that consistently give numbers well outside the range of the others - anything up to 30 IIRC.
Replace the faulty coil pack(s), plugs, leads and re-test. Repeat until you're happy.
While you have the 980 hooked up, check the 'Falut[sic] Counter' group in the same menus. That should show counts for each cylinder that failed to fire at all - i.e. coil pack failure, or both plugs/leads duff.
I suspect that the A/C compressor is an uneven load - smoothness values improved noticeably when the A/C was turned off.
Ian.