lu_spots2expt

lu_spots2expt

    Usage: lu_spots2expt.py [options] file__spots.h5

    Options:
      -h, --help            show this help message and exit
      -o FO, --output=FO    output file (HDF5) name [default: file__expt.h5]
      -d DISTANCE, --distance=DISTANCE
                            detector distance in mm [default: 65.2]
      -p PIXEL, --pixel=PIXEL
                            pixel dimensions [default: 0.0792,0.0792]
      -c CENTER, --center=CENTER
                            X-ray beam center position in pixels [default: 998.1,1025.5]
      -b BEAMSTOP, --beamstop=BEAMSTOP
                            greyscale tif file containing beamstop mask , a processed

Input - file__spots.h5, an output from lu_hdf2spots program

Output - binary file in HDF5 format,

The program appends data stored by lu_hdf2spots procedures with the experiment-specific data on experiment geometry, i.e. crystal to detector distance, detector characteristics (pixel size) and X-ray beam center position, in order to generate a complete input for the indexing routine. The detector characteristics are available in HDF5 file in group stats_', subgroup '''expt''', array '_detector_geometry.

DISTANCE and CENTER data have to be updated each time after the beam settings were changed (each new synchrotron trip or wavelength adjustment). Values can be taken from Precognition refinement on a test dataset or, in the case of beam center position, from the fitting of powder pattern of Cerium oxide.