Hello colleagues
I have a more or less conceptual question relating to unit cell parameters which arises from a little experiment with my P1 dataset (no twinning, no tNCS). I would be glad if further discussion follows or perhaps any reading could be suggested on this?
So the story is, I first indexed my images in mosflm. Initially mosflm gave zero penalty for both of these two sets of unit cell parameters
(i): 53.9 60.6 82.6 68.7 70.9 83.4
(ii): 53.98 60.66 82.69 106.73 109.04 96.56
At first I processed my dataset to 2.4 A with parameters (i). Pointless return (i) to be best solution.
Then I pushed to 2.3 A. With either (i) or (ii) Pointless returns (ii) to be best solution.
In all cases Phaser seem to give a reasonable MR solution.
So there come a few questions in my mind:
(1) Of course - which ones are the 'correct' unit cell parameters?
(2) If I integrate my data with (i), but Pointless returns (ii), should I re-do the indexing (still in P1) and integration with (ii) again?
(3) So if there is a 'right or wrong' here, how should I further look into Pointless results for the right unit cell?
Kind regards
Sam