simtbx - Pilatus example available
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
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
Sounds good to me. Assuming I'm not the only one who would like to do test Jenkins runs without breaking the master branch, perhaps cctbx-playground is the branch to use? -James On 4/8/2018 9:13 AM, Aaron Brewster wrote:
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
mailto:[email protected]> 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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Hi James, I went with 'cctbx-staging'. Here's what I did:
git pull
git checkout simtbx_sandbox
git log # note the hashes for the two commits
git checkout master
git checkout -b cctbx-staging
git cherry-pick 728e4daec5b20f15ff67263b85487c212455448b
53b7cf50a5be7f275ce6980171465360ec93b9ab
git push -u origin cctbx-staging
Ready to be tested with Jenkins.
-Aaron
On Sun, Apr 8, 2018 at 11:38 AM, James Holton
Sounds good to me. Assuming I'm not the only one who would like to do test Jenkins runs without breaking the master branch, perhaps cctbx-playground is the branch to use?
-James
On 4/8/2018 9:13 AM, Aaron Brewster wrote:
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
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
_______________________________________________ cctbxbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/cctbxbb
_______________________________________________ cctbxbb mailing [email protected]http://phenix-online.org/mailman/listinfo/cctbxbb
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participants (3)
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Aaron Brewster
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Aaron Brewster
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James Holton