DETECTOR=ADSC MINIMUM_VALID_PIXEL_VALUE=1 OVERLOAD= 65000 DIRECTION_OF_DETECTOR_X-AXIS= 1.0 0.0 0.0 DIRECTION_OF_DETECTOR_Y-AXIS= 0.0 1.0 0.0 INCIDENT_BEAM_DIRECTION=0.0 0.0 1.0 ROTATION_AXIS= 1.0 0.0 0.0 FRACTION_OF_POLARIZATION=0.90 !default=0.5 for unpolarized beam POLARIZATION_PLANE_NORMAL= 0.0 1.0 0.0 TRUSTED_REGION=0.0 1.05 !Relative radii limiting trusted detector region NX=3072 NY=3072 QX=0.102592 QY=0.102592 ORGX=1510.45 ORGY=1552.27 !Detector origin (pixels). ORGX=NX/2; ORGY=NY/2 DETECTOR_DISTANCE= 249.98 OSCILLATION_RANGE=1 !degrees (>0) X-RAY_WAVELENGTH=0.97934 !Angstroem !======================= CRYSTAL PARAMETERS ================================= SPACE_GROUP_NUMBER=0 !0 for unknown crystals; cell constants are ignored. ! UNIT_CELL_CONSTANTS= 74 74 47 90 90 90 ! You may specify here the x,y,z components for the unit cell vectors if ! known from a previous run using the same crystal in the same orientation !UNIT_CELL_A-AXIS= !UNIT_CELL_B-AXIS= !UNIT_CELL_C-AXIS= !Optional reindexing transformation to apply on reflection indices !REIDX= 0 0 -1 0 0 -1 0 0 -1 0 0 0 FRIEDEL'S_LAW=FALSE !Default is TRUE. !==================== SELECTION OF DATA IMAGES ============================== !Generic file name and format (optional) of data images NAME_TEMPLATE_OF_DATA_FRAMES=/data3/anonymous/pub/ALS/831/Gd_lyso1/ALS831_lyso_Gd_???.img !SMV DATA_RANGE=1 100 !Numbers of first and last data image collected BACKGROUND_RANGE=1 100 !Numbers of first and last data image for background SPOT_RANGE=1 100 !First and last data image number for finding spots !==================== DATA COLLECTION STRATEGY (XPLAN) ====================== ! !!! Warning !!! ! If you processed your data for a crystal with unknown cell constants and ! space group symmetry, XPLAN will report the results for space group P1. STARTING_ANGLE= 342 ! STARTING_FRAME=1 !used to define the angular origin about the rotation axis. !Default: STARTING_ANGLE= 0 at STARTING_FRAME=first data image !RESOLUTION_SHELLS=10 6 5 4 3 2 1.5 1.3 1.2 !STARTING_ANGLES_OF_SPINDLE_ROTATION= 0 180 10 !TOTAL_SPINDLE_ROTATION_RANGES=30.0 120 15 !REFERENCE_DATA_SET= CK.HKL !Name of a reference data set (optional) !====================== INDEXING PARAMETERS ================================= !Never forget to check this, since the default 0 0 0 is almost always correct! !INDEX_ORIGIN= 0 0 0 ! used by "IDXREF" to add an index offset !Additional parameters for fine tuning that rarely need to be changed !INDEX_ERROR=0.05 INDEX_MAGNITUDE=8 INDEX_QUALITY=0.8 !SEPMIN=6.0 CLUSTER_RADIUS=3 !MAXIMUM_ERROR_OF_SPOT_POSITION=3.0 !MAXIMUM_ERROR_OF_SPINDLE_POSITION=2.0 !MINIMUM_FRACTION_OF_INDEXED_SPOTS=0.5 !============== DECISION CONSTANTS FOR FINDING CRYSTAL SYMMETRY ============= !Decision constants for detection of lattice symmetry (IDXREF, CORRECT) MAX_CELL_AXIS_ERROR=0.03 ! Maximum relative error in cell axes tolerated MAX_CELL_ANGLE_ERROR=2.0 ! Maximum cell angle error tolerated !Decision constants for detection of space group symmetry (CORRECT). !Resolution range for accepting reflections for space group determination in !the CORRECT step. It should cover a sufficient number of strong reflections. TEST_RESOLUTION_RANGE=8.0 1.5 MIN_RFL_Rmeas= 50 ! Minimum #reflections needed for calculation of Rmeas MAX_FAC_Rmeas=2.0 ! Sets an upper limit for acceptable Rmeas !================= PARAMETERS CONTROLLING REFINEMENTS ======================= !REFINE(IDXREF)=BEAM AXIS ORIENTATION CELL !DISTANCE !REFINE(INTEGRATE)=!DISTANCE BEAM ORIENTATION CELL !AXIS !REFINE(CORRECT)=DISTANCE BEAM ORIENTATION CELL AXIS !================== CRITERIA FOR ACCEPTING REFLECTIONS ====================== VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS= 6000 30000 !Used by DEFPIX !for excluding shaded parts of the detector. INCLUDE_RESOLUTION_RANGE=20.0 0.0 !Angstroem; used by DEFPIX,INTEGRATE,CORRECT SPACE_GROUP_NUMBER= 96 UNIT_CELL_CONSTANTS= 77.23 77.23 38.81 90.000 90.000 90.000