lu_ratios

lu_ratios

    Usage: [python] lu_ratios.py [options] LaueCollect1.log [LaueCollect2.log ...]

    Options:
      -h, --help            show this help message and exit
      -l LG_PATH, --lg_path=LG_PATH
                            path to LaueGui .int files [default: integration]
      -r RATIOS_OUTPUT, --ratios_output=RATIOS_OUTPUT
                            output file name for all ratios - for the sake of analyses, e.g. file.dat
      -o OUTPUT, --output=OUTPUT
                            output file name e.g. .hkl (sortav compatible)
      -s MAX_STD, --max_std=MAX_STD
                            block filter: maximum sample standard deviation [default: inf]
      -n MIN_N, --min_n=MIN_N
                            block filter: minimum number of pairs in block [default: 0]
      -a A                  block filter: | 1 - <R> | / std(R) >= a [default: 0.0]
      -i I                  pair filter: I1/s1 >= i and I2/s2 >= i [default: 10.0]
      --ddof=DDOF           see nupy.std documentation [default: 1]

Input - a series of .int files produced by LaueGui procedure for each experimental MCCD frame and LaueCollect.log file associated with their acquisiti
on.

Output - up to two output files can be produced, one containing block-averaged Ratio-s in SORTAV compatible format, the other a full listing of data from L aueGui outputs sorted by block, frame and hkl values.

The program performs following tasks:

1. Select the subset of data from raw .int files, according to optional criteria:
   -i. minimal value of reflection intensity over its standard deviation for it to be included in a subset
   -s. maximal value of standard deviation of Ratio
   -a. maximal value of the module of response ratio over standard deviation of that Ratio
   -n. minimal number of pairs of frames in a block on which the reflection was present
2. Calculating Ratio values for individual reflections in a subset and their average over a block of frames
3. Gathering data from .int files into a single file usable for statistical analysis