I have mostly given up trying to use manual J load calculators for mini-splits, they really don't seem accurate for inverter technology. If your roof is metal and not insulated trying to keep it cool is going to be tough, but throwing three units down the long side and running them as needed should work well. I would probably start with one cheap 18-24k unit pointed wherever you are most likely to be working and see how it does. My 24k unit can be felt across my 36ft shop when its on high, and about 20ft away when its on normal speed. So if you just wanted to have cold air hitting you while working a mini split definitely would do the job. Keeping the whole place cool would depend on insulation and probably take three as you said. They can spool way down so energy wise it doesn't hurt to go bigger, just makes them cool faster when cranked up. There is no way to use electricity to produce cool air more efficiently, so whatever it costs to run will be less than anything else. If your shop was insulated well three 12k might be Ok, but I would go bigger as the cost isn't much more.
I would also buy separate single units, I have seen way to many expensive multiple head units have one part fail and not be worth the money to fix, and they generally cost more than all the single units combined. Plus you have backup if one fails using multiple singles. Since they are mostly made by a couple of places brand doesn't matter very much, and since they are pretty much disposable I would just look for a good deal. Even the Mitsubishi ones we used to like seem to be the same as everything else now from a reliability standpoint. I went with a Mr.Cool DIY 24k setup because it was, and I think might still be, the only one with sealed lines so you don't need a vacuum pump or anything special to install one. Was super easy to install. Having installed a bunch of different ones since its not really that big of deal, and you can also use the Pioneer purge can to clear the lines if you don't want to mess with a pump and gauges.
https://www.pioneerminisplit.com/pr...g-kit-for-mini-split-air-conditioning-systems
Here is a Costway branded 21 seer2 and energy star rated 24k unit for around $900 when you use coupon code
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