Usage: [python] lu_dump_pc_cell.py [options] LaueCollect1.log [LaueCollect2.log ...] [> file_dump_cell.dat] Options: -h, --help show this help message and exit -p PC_PATH, --pc_path=PC_PATH path to Precognition .inp files [default: indexing] -m MATRIX, --matrix=MATRIX reference rotation matrix [default: ]
Input - a series of .mccd.inp files produced by Precognition-Refine procedure for each experimental MCCD frame and LaueCollect.log
file associated with
their acquisition.
Output - a listing of refined parameters from the Precognition-Refine procedure in text format, optionally appended by Euler angles discrepancies. Number of
OFF frame, ON frame, a, b, c, alpha, beta, gamma, Volume, crystal to detector distance, X and Y beam center position, 3 Euler angles discrepancies and amximu
m of those three values are reported in according order:
1 0 12.071 21.192 17.246 90.000 94.009 90.000 4400.881 65.400 1002.270 1025.280 -1.742 9.981 -0.719 9.981
The program combines information on refinable parameters from Precognition outputs into a single text file suitable for statistical analysis. The listed param
eters are: unit cell parameters, cell volume, crystal to detector distance, XY positions of the beam center. Option -m, when used, allows to perform additiona
l comparison of the Precognition orientation matrix parameters with a reference orientation matrix. The reference orientation matrix must be supplied as a str
ing of 9 values separated by spaces, e.g.:
'0.262333 -0.589349 0.764100 -0.163929 -0.807541 -0.566573 0.950951 0.023373 -0.308456'