This isn't what mode means in probability. Histograms produced by simc are similar to a discrete probability distribution, and the definition of mode for that is: "The mode of a discrete probability distribution is the value x at which its probability mass function takes its maximum value. In other words, it is the value that is most likely to be sampled."
This pic shows what I am talking about:
Both graphs are positively skewed (like our simc distributions). Notice that the median is the same, but the mode/median/mean are closer together on the distribution where the std dev is smaller. You are more likely to reproduce the mode of your damage than you are the mean. Therefore, the closer you can make the mode to the mean, the closer you will get to your simdps in all of your pulls.
Granted, and as you have stated, a ton of our damage is from factors related to rng well out of our control (4pc especially). So, eliminating all of the "chance" from our rotation is impossible, but we should try to eliminate as much as possible. Which, btw, from your armory, looks like you are trying to do. Not many people are saying go full retard on mastery to the detriment of crit. But for us, it really doesn't take much crit to make mastery more appealing again, so when you see crit jump ahead, don't go full retard into crit either; even though the differences between dps at the extremes of each are comically small. Seems like at a point, it is hard to fuck up our stats.
PS: I still think something weird happened on your "default" build for your simdps to be at 340k, while your "extreme" builds were all at 354k.