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