[cctbxbb] simtbx - Pilatus example available

[Aaron Brewster]

Hi James, I’ve looked at it. The branch still has my test commit that breaks Windows in it. That’s the demo commit we made to test Jenkins. I’ll cherry pick your two commits into a new branch later today.  Maybe we can point Jenkins at that branch instead?

-Aaron

On Apr 7, 2018, at 1:52 PM, James Holton <jmholton at lbl.gov<mailto:jmholton at lbl.gov>> wrote:

Took most of last week, but I finally got it to work. tst_nanoBragg_pilatus.py will create a Pilatus-like image, complete with bad pixels, window panes, thickness effects, module-to-module misalignment and 0.1 deg of phi rotation.  It takes one optional argument, which is the image number in a sequence of 3600.  I've processed this simulated data set with xia2 and XDS and found the anomalous signal has the right sign.

This required some edits and additions to the simTBX code as well as FormatCBFMini.as_file() that I think fixed a beam center consistency bug.  Now if you dxtbx.load() and FormatCBFMiniPilatus.as_file() you get the same beam center in both input and output headers.  I also enhanced the header to make it look more like the ones in DIALS regression.  A new "SIM.F000" value is now available for marking the "direct beam" on the image itself.

I spent most of Friday and all of this morning trying to follow the check-in procedure we laid out during the DIALS workshop. Not sure how, but it suddenly started working just now.  I believe I have checked in this code into the simtbx_sandbox branch of cctbx_project.  Is Jenkins looking at this yet?  Is anyone looking at this yet?

-James Holton
MAD Scientist





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