[ START of SETUP script ] [ BEFORE this script: run 'xdisp raxis4 100 image_file' and search for peaks ] TITLE 'tetragonal HEWL 5/31/97' [ Detector ] format raxis4 100 [ format raxis ] detector rotx 0.03 roty 0.00 rotz 0.00 x beam 149.0 y beam 150.0 [ x beam 99.0 y beam 96 ] distance 100.00 y scale 1.0000 [ y scale 1.03] film rotation 180.000 skew 0.00035 [ Goniometer ] spindle axis 0 0 1 vertical axis 1 0 0 [ Source ] wavelength 1.5418 crossfire y 0.259 x 0.272 xy 0.057 [ Crystal ] space group P43212 mosaicity 0.25 [Important, not refined in denzo, but in scalepack!] [ use xdisp to estimate mosaicity ] [ Image ] oscillation start 1.00 oscillation range 1.0 raw data file '/rxdat4/people/raxis/LYSO/lyso###.osc' sector 1 to 60 [ Refinement results ] [ Remove old refinement results, then ... ] [ use 'list' command in denzo; then cut and paste results into here ] unit cell 79.215 79.215 37.909 90.000 90.000 90.000 crystal rotx -28.692 roty -125.312 rotz 52.337 detector rotx -0.05 roty 0.03 rotz 0.00 distance 79.86 x beam 99.692 y beam 97.121 y scale 1.03366 film rotation 180.000 skew -0.00003 crossfire y 0.469 x 0.343 xy 0.045 [ Integration ] resolution limits 50.0 1.65 box print 3. 3 profile fitting radius 30.0 spot elliptical 0.95 1.05 0.0 [ use xdisp to help set ] background elliptical 1.05 1.15 0.0 [ use xdisp to help set ] overlap spot film output file ./lyso###.x print statistics [ AFTER this script: read in autoindex script or integrate script ] [ END OF SETUP ]