Cppxfel Initial Orientation Matrix Refinement

Initial orientation matrix refinement covers the first stage of the dedicated C++ code in cppxfel and uses an input file which is called integrate.txt by default. This should have been generated during the previous stage.

The contents of integrate.txt

One can look at the contents of integrate.txt by executing:

cat integrate.txt

This shows an input script along the following lines:

ORIENTATION_MATRIX_LIST matrices.dat
NEW_MATRIX_LIST orientations.dat

SPACE_GROUP 197
UNIT_CELL 105.917757854 105.917757854 105.917757854 90.0 90.0 90.0
FIX_UNIT_CELL ON

MM_PER_PIXEL 0.11
BEAM_CENTRE 881.755 881.5075
DETECTOR_DISTANCE 91.0018
INTEGRATION_WAVELENGTH 1.45738121124 

PANEL_LIST panels.txt
METROLOGY_SEARCH_SIZE 1

SHOEBOX_FOREGROUND_RADIUS 1
SHOEBOX_NEITHER_RADIUS 2
SHOEBOX_BACKGROUND_RADIUS 3

INTENSITY_THRESHOLD 12
ABSOLUTE_INTENSITY OFF
REFINE_ORIENTATIONS ON

VERBOSITY_LEVEL 1

COMMANDS

INTEGRATE