Graeme Winter

Results 365 comments of Graeme Winter

OK, wall clock time seems to have fallen: Old run: ``` Total time taken: 92.09s ``` New run: ``` Total time taken: 62.97s ``` :smile:

For record: yes I know I can `dials.split_experiment` and `dials.combine_experiments` to achieve this but seems like it would be neat to decompose the problem inside the refinement program.

Respectfully point out that this _does_ happen on my Intel MacBook -> is not M1 special. I have to Ctrl-C if I don't want the OS to complain.

``` xia2 pipeline=dials-aimless image=/HD4TBPurple/murphy/data/B3X11/01/B3X11_01_0001.cbf:1:END mage=/HD4TBPurple/murphy/data/B3X11/01/B3X11_01_0001.cbf:END+1:270 ``` should do it? Where `END` is the end of the 1st sweep

Also FWIW you would probably get better results from straight dials than dials-aimless

I note the detector mask is `not_found` -> is the detector in basic header mode? What if you prod simplon into full header mode?

Wait, what? It seems to be workable with _integrated_ data?

Specific worries: - legend "FIXME" occurs several times in an innocuous piece of code which is on the _critical path_ for processing - around line 515 a lot of important...

While looking at stuff like this, consider why we have no reflections usually centred on image[0] but do have lots on image[n]...

UB matrix questions - MOSFLM says (for monoclinic small molecule) ``` Crystal Parameters =================== Crystal identifier (used as template for image file names (IDENT): NIDPPE_8_8_1 Space group (SYMMETRY) 3 (P2)...