Skip to content

Releases: nsls-ii-mx/pa_sg_res

PA_SG_RES with frame and resolution windows

03 Oct 23:55
Compare
Choose a tag to compare

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