############################################################################### ID14-EH1 DENZO INPUT FILE -[to run in background use denzo.com file at end of file] ############################################################################### Title 'ID14-EH1 example' [detector format and beam stop shadow] format ccd adsc unsupported-q210 [ format ccd adsc unsupported-q210 binned ] [to mask beamstop for example ignore quadrilateral 111.8 116.2 108.0 223.0 112.4 223.0 114.4 115.6 circle 112.7 112.1 4.6] goniostat single axis goniostat alingment 0 0 [beam parameters] polarization 0.99 wavelength 0.934 profile fitting radius 15.0 weak level 5.0 error positional 0.015 error density 1.35 [information for the data collection update with list command] cassette rotx 0.019 roty 0.095 rotz 0.0 crossfire x -0.037 y -0.072 xy 0.004 oscillation start 80.00 oscillation range 1.00 x beam 102.5 y beam 104.5 distance 150.00 mosaicity 0.3 resolution limits 50.00 3.50 process together 5 [option in HKL2000] space group C2 spindle axis 0 0 1 vertical axis 1 0 0 sector 1 to 200 [file information and spot definition] raw data file './name_e1_1_###.mccd' output file 'x/name_pk_###.x' box 2.0 2.0 overlap spot spot radius 0.3 background radius 0.4 [for auto indexing use following command line] [ peak search file 'peaks.file'] waiting time 40 [on-line processing] write predictions go ########################################################### TO RUN DENZO in background ========= denzo.com ========= denzo << eof > denzo.log @denzo.dat @refine.dat eof ======================== refine.dat example file ======================== start refinement fit x beam y beam go go fit crystal rotx roty rotz cell go go go fit all fix distance go go go go go go calculate go