Multiple datasets
Full automatic command line mode
Allows the processing of all data sets contained in a directory.
Usage:
xdsapp [options]
- xdsapp --cmd -i abcd_01_00299.img
processes all images of dataset abcd_01_ - xdsapp --cmd -r 4 -j 3 -i abcd_01_00299.img
processes all images of dataset abcd_01_ , does 4 reintegration steps, uses 3 parallel jobs for INTEGRATE - xdsapp --cmd -a
processes all datasets in a diretory (recursively) - xdsapp --cmd -i abcd_02_0001.img --live 300
processes dataset abcd_02_ live (in 4 steps) during data collection - xdsapp --cmd --cont
looks continuously for datasets (recursively) and processes them
Results are always stored in the file "results.txt" within the result directory.
Available options:
- -h, --help
show this help message and exit - --cmd
start the command line version of XDSAPP - --suffix=SUFFIX
give the suffix of your images, e.g. --suffix ".cbf" (just for multi mode) - -i IMAGE, --image=IMAGE
single mode: give one image of a dataset, this dataset will be processed, e.g. -i abcd_01_010.img - --xdsinp
genereate XDS.INP for this dataset, only in single mode - --index
index dataset, only in single mode - --range=RANGE
give datarange in format --range "start end" - --spotrange=SPOT_RANGE
give spotrange manually, can be 1-3 pairs, e.g. --spotrange "1 10 20 40 60 80" - --org=ORGXY
give orgx, orgy manually: --org "orgx orgy" - -f FRIEDEL, --fried=FRIEDEL
set friedel law, give "true" or "false", default: false - -s SG, --spacegroup=SG
give spacegroup and unit cell constants in format -s "sg a b c α β γ" - --dir=RESULT_DIR
give resultdir, e.g. --dir myresults, default: xdsit/surname - -r REINT, --reint=REINT
no of reintegration cycles, default: 2 - --live=LIVE_NO
live processing, give last image no., e.g. --live 200 - --ccstar=CCSTAR
do resolution cutoff based on ccstar - -a, --all
multi-mode: process all datasets in a dir (recursively) - --cont=ALLAROUND
multi-mode: look continuously for datasets and process them - -j JOBS_NO, --jobs=JOBS_NO
set number of parallel jobs for xds, default: 1 - -c CPU_NO, --cpu=CPU_NO
set number of cpus for xds, default: all cpus of the machine - --nice=NICE_LEVEL
set nice level of xds, default: 19 - --res=RESOLUTION
use data up to resolution - --delphi=DELPHI
give delphi manually - --norestest
do resolution test