lu_dump_pc_cell modified by Anna Makal

Anna Makal — Wed, 12 Jun 2013 18:57:15 -0000

lu_dump_pc_cell

    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'

Recent changes to lu_dump_pc_cell

lu_dump_pc_cell modified by Anna Makal

lu_dump_pc_cell