nsls-ii-mx/pa_sg_res

pa_sg_res [-r<reslow>] [-R<reshigh>] [-S<spacegroup>] [-i<infile>] [-o<outfile>] [-l <logfile>]

pa_sg_res by Wuxian Shi, 13 Feb 2017 adapted to keyword arguments by H. J. Bernstein window args added by D. Kreitler merged with ps_sg_res_cut by H. J. Bernstein

pa_sg_res [-1<first_frame>] [-N<frame_cutoff>] [-R] [-r] [-S] [-i] [-o] [-l]

-h produces a short help messaage< --help produces this help message

pa_sg_res is a bash shell script wrapper for aimless and pointless, for the downstream processing of fast_dp output. This script allows for trimming integrated reflection files (from XDS) based on resolution and frame number in addition to spacegroup assignment/enforcement.

Caveat: The impact of crystal misalignment and/or unreliable indexing in the first few frames of data collection may still be present even if those frames are excluded from pointless/aimless. In such cases re-running fast_dp is recommended.

Input arg variables match those of fast_dp (where overlap occurs) Input arg variables changed to match pa_sg_res_cut (N for f, swap r and R)

infile defaults to XDS_ASCII.HKL, outfile to aimless.mtz logfile in pa_sg_res.log