instrument database

[JunCEEE]

• Implement a full example for SimEx-lite for EUXFEL
• Implement a full instrument for ESS
• agree on mechanism to set samples, sample holders and sample environments
• write user and developer documentation

[JunCEEE]

Output for 6 keV

 - Parameters object -                                                                                                                                                                                             
energy                                   [electron_volt]      The mean photon energy                                                                                                                               
photon_energy_relative_bandwidth                              The relative energy bandwidth                                                                                                                        
pulse_energy                             [joule]              Total energy of the pulse                                                                                                                            
number_of_diffraction_patterns                                The number of diffraction patterns to generate per pmi file                                                                                          
pixel_size                               [meter]              The pixel size of the detector                                                                                                                       
pixels_x                                                      Number of pixels in x direction                                                                                                                      
pixels_y                                                      Number of pixels in y direction                                                                                                                      
distance                                 [meter]              Sample to detector distance                                                                                                                          
diffraction_mpi_command                                       The mpi command to run pysingfel                                                                                                                     
                                                                                                                                                                                                                   
2022-09-28 17:29:24,083:SimExLite.SourceCalculators.GaussianSourceCalculator:INFO: rayleigh_length = 246.76101756197417                                                                                            
2022-09-28 17:29:24,083 INFO:rayleigh_length = 246.76101756197417                                                                                                                                                  
################################################################################                                                                                                                                   
Setup initial wavefront.                                                                                                                                                                                           
Load SPB_SFX_instrument/GaussianSourceCalculator/wavefront.h5                                                                                                                                                      
Saving propagated wavefront to SPB_SFX_instrument/WPGPropagationCalculator/wavefront.h5                                                                                                                            
Saving history.                                                                                                                                                                                                    
ALL DONE.                                                                                                                                                                                                          
################################################################################                                                                                                                                   
Previous module:  WPGPropagationCalculator                                                                                                                                                                         
  NOT: data                                                                                                                                                                                                        
  NOT: history                                                                                                                                                                                                     
info                                                                                                                                                                                                               
misc                                                                                                                                                                                                               
params                                                                                                                                                                                                             
version                                                                                                                                                                                                            
['arrEhor', 'arrEver']                                                                                                                                                                                             
[('arrEhor', <HDF5 dataset "arrEhor": shape (1680, 1680, 12, 2), type "<f4">), ('arrEver', <HDF5 dataset "arrEver": shape (1680, 1680, 12, 2), type "<f4">)]                                                       
Hint: This data already existed in the file SPB_SFX_instrument/GaussianSourceCalculator/wavefront.h5 in format <class 'SimExLite.WavefrontData.WPGFormat.WPGFormat'>. `cp SPB_SFX_instrument/GaussianSourceCalculat
or/wavefront.h5 source.h5` could be faster.                                                                                                                                                                        
Will still write the data into the file source.h5 in format <class 'SimExLite.WavefrontData.WPGFormat.WPGFormat'>                                                                                                  
R-space
(400,) (400,)
FWHM in x = 1.401e-04 m.
FWHM in y = 1.401e-04 m.
number of meaningful slices: 7
Pulse energy 0.002 J
number of meaningful slices: 4
R-space
(1680,) (1680,)
FWHM in x = 1.071e-06 m.
FWHM in y = 1.055e-06 m.
number of meaningful slices: 7
Pulse energy 0.002 J
number of meaningful slices: 4

Output for 20 keV

 -  - Parameters object -
energy                                   [electron_volt]      The mean photon energy   
photon_energy_relative_bandwidth                              The relative energy bandwidth   
pulse_energy                             [joule]              Total energy of the pulse   
number_of_diffraction_patterns                                The number of diffraction patterns to generate per pmi file   
pixel_size                               [meter]              The pixel size of the detector   
pixels_x                                                      Number of pixels in x direction   
pixels_y                                                      Number of pixels in y direction   
distance                                 [meter]              Sample to detector distance   
diffraction_mpi_command                                       The mpi command to run pysingfel   

2022-09-28 17:22:28,846:SimExLite.SourceCalculators.GaussianSourceCalculator:INFO: rayleigh_length = 74.02830526859223
2022-09-28 17:22:28,846 INFO:rayleigh_length = 74.02830526859223
################################################################################
Setup initial wavefront.
Load SPB_SFX_instrument/GaussianSourceCalculator/wavefront.h5
Saving propagated wavefront to SPB_SFX_instrument/WPGPropagationCalculator/wavefront.h5
Saving history.
ALL DONE.
################################################################################
Previous module:  WPGPropagationCalculator
  NOT: data
  NOT: history
info
misc
params
version
['arrEhor', 'arrEver']
[('arrEhor', <HDF5 dataset "arrEhor": shape (1680, 1680, 12, 2), type "<f4">), ('arrEver', <HDF5 dataset "arrEver": shape (1680, 1680, 12, 2), type "<f4">)]
Hint: This data already existed in the file SPB_SFX_instrument/GaussianSourceCalculator/wavefront.h5 in format <class 'SimExLite.WavefrontData.WPGFormat.WPGFormat'>. `cp SPB_SFX_instrument/GaussianSourceCalculator/wavefront.h5 source.h5` could be faster.
Will still write the data into the file source.h5 in format <class 'SimExLite.WavefrontData.WPGFormat.WPGFormat'>
R-space
(400,) (400,)
FWHM in x = 1.019e-04 m.
FWHM in y = 1.019e-04 m.
number of meaningful slices: 7
Pulse energy 0.002 J
number of meaningful slices: 4
R-space
(1680,) (1680,)
FWHM in x = 7.554e-07 m.
FWHM in y = 7.489e-07 m.
number of meaningful slices: 7
Pulse energy 0.002 J
number of meaningful slices: 4

[JunCEEE]

The spb branch for this development: https://github.com/PaNOSC-ViNYL/instrument_database/tree/spb