Hi there.
I think I see some of those "jaggies"[...]
You can fix that at the lineart stage a bit.
For instance, try to have the lines transition smoothly from 1px per row to 2px per row. If that makes sense.
& an additional source of jaggies is the AA on the outer-edges, which would look nice on a black space background but looks spotty on the forum colors (generally when you have AA on the outer-edges, avoid transparent BG (or use alpha))
When I first saw the finished image I briefly thought the fin was the wing on the opposite side (viewed from slight above angle), which was crazy. I think I saw it that way because the shading on the wings is similar to the fin, so they look like they could be oriented in the same direction. Quick edit might help...
[...]is there is some proper rule or orden in between the shades, or if we just must use which colour looks enough darker/bright and nice for the viewer in a gradient of pixels.
Well, you can get an idea of how many intermediate shades are
necessary by looking at old games with less color depth.
These are the amount of shades of gray available to 24bit, 15bit (SNES), & 9bit (Mega Drive), just to illustrate. & the Mega Drive had some beautiful games like
this.
But ultimately, you just eyeball it.
[...]using 1x1 brush for art, they use 2x2 brushes to make the pixels bigger and use the 1x1 ones for smaller details.
Well, there are at least two different approaches to the the beginning "construction" stage. A) Draw an outline or wire-frame model (line-art, typically 1px), or B) Draw large blobs of shade & sculpt them into the appropriate shape (>1px). I favor approach A because it's the way I'm best at visualizing 3d objects, & it feels neater; others like B. Experiment.