Wow. That's a wealth of information that you have accumulated there Osprey.
I have an original Air Publication 1565A "The Spitfire I Aeroplane Merlin II Engine" manual which I thought might be useful - but I think those references you have must cover it all. I went through it specifically looking for performance charts but unfortunately there are none. There are change bars around the fuel and pitch sections though... and it states:
Fuel ....... Specification D.T.D.230
Note:- 100 octane fuel may be used, if the engine has been suitably modified.
Under the Automatic boost control it does mention +12lb/sq.in at sea level but does not tie this to 100 octane fuel.
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