[cctbxbb] simtbx - Pilatus example available
James Holton
jmholton at lbl.gov
Sat Apr 7 13:52:16 PDT 2018
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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