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PaNOSC-ViNYL / SimEx

Start-to-end photon experiment simulation platform
https://simex.readthedocs.io/
GNU General Public License v3.0
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Arbitrary detector for singFEL and CrystFEL #177

Open rshopa opened 4 years ago

rshopa commented 4 years ago

Hi there. I am trying to compare simulations from the same protein example 5udc.pdb given in tutorials for both SPI and nanocrystal diffraction (using singFEL and CrystFEL, respectively). I need to implement a real (arbitrary detector geometry) for the eventual simulation of dynamics for a protein, say, from cancer-/non-cancer cell. singFEL is probably the better choice, since it encompasses Xraypac. However, the setup is different and confusing, so I've got a couple of questions:

1 - why didn't SimEx accept real detectors from CtystFEL examples, e.g. CSPAD detector geometry, as given in CrystFEL tutorial on indexamajig? The screenshots are below: image image

2 - How to define such detectors for singFEL? Apparently it does not support .geom-format in SingFELPhotonDiffractorParameters() function. The example from Wiki is deprecated, yet the file s2e.geom given there looks far from CrystFEL-friendly one.

3 - Am I right that the tutorial for SPI is about a tiny area from a small detector, if compared to CrystFEL simple.geom example here? Otherwise I cannot explain why the results are so different for the same 5udc.pdb protein. image