!JOB= XYCORR INIT COLSPOT IDXREF DEFPIX XPLAN INTEGRATE CORRECT JOB= CORRECT MAXIMUM_NUMBER_OF_JOBS= 1 MAXIMUM_NUMBER_OF_PROCESSORS= 16 !SECONDS= !Detector settings ORGX= 740.99 ORGY= 840.0 DETECTOR_DISTANCE= 223.13 DIRECTION_OF_DETECTOR_X-AXIS= 1.0 0.0 0.0 DIRECTION_OF_DETECTOR_Y-AXIS= 0.0 1.0 0.0 !Rotation axis ROTATION_AXIS= 1.0 0.0 0.0 OSCILLATION_RANGE= 0.1 !Beam X-RAY_WAVELENGTH= 0.9184 INCIDENT_BEAM_DIRECTION= 0.0 0.0 1.0 FRACTION_OF_POLARIZATION= 0.99 POLARIZATION_PLANE_NORMAL= 0.0 1.0 0.0 AIR= 0.001 !Data set NAME_TEMPLATE_OF_DATA_FRAMES= nh180_5_1_????.cbf !REFERENCE_DATA_SET= !e.g. to ensure consistent indexing DATA_RANGE= 1 3600 SPOT_RANGE= 1 101 SPOT_RANGE= 850 950 !SPOT_RANGE= ! BACKGROUND_RANGE= !rather use defaults (first 5 degrees of rotation) ! BACKGROUND_RANGE= ! BACKGROUND_RANGE= SPACE_GROUP_NUMBER= 0 UNIT_CELL_CONSTANTS= 43.95 89.84 103.33 90.00 90.00 90.00 INCLUDE_RESOLUTION_RANGE= 50.0 0.0!after CORRECT, insert high resol limit; re-run CORRECT FRIEDEL'S_LAW= TRUE !This acts only on the CORRECT step !STRICT_ABSORPTION_CORRECTION= TRUE !uncomment if anomalous signal is strong !exclude (mask) untrusted areas of detector, e.g. beamstop shadow : !UNTRUSTED_RECTANGLE= 1800 1950 2100 2150 ! x-min x-max y-min y-max ! repeat !UNTRUSTED_ELLIPSE= 2034 2070 1850 2240 ! x-min x-max y-min y-max ! if needed !UNTRUSTED_QUADRILATERAL= x1 y1 x2 y2 x3 y3 x4 y4 ! see documentation TRUSTED_REGION= 0.00 1.41 ! partially use corners of detectors; 1.41421=full use VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS= 4500 30000 ! often 8000 is ok STRONG_PIXEL= 3 ! COLSPOT: only use strong reflections (default is 3) MINIMUM_NUMBER_OF_PIXELS_IN_A_SPOT= 3 REFINE(IDXREF)= CELL AXIS BEAM ORIENTATION DISTANCE POSITION REFINE(INTEGRATE)= BEAM ORIENTATION CELL !AXIS DISTANCE POSITION REFINE(CORRECT)= CELL AXIS BEAM ORIENTATION DISTANCE POSITION REFLECTING_RANGE= 1.02389 REFLECTING_RANGE_E.S.D.= 0.14627 BEAM_DIVERGENCE= 0.31505 BEAM_DIVERGENCE_E.S.D.= 0.03151 NUMBER_OF_PROFILE_GRID_POINTS_ALONG_ALPHA/BETA= 9 NUMBER_OF_PROFILE_GRID_POINTS_ALONG_GAMMA= 9 !CUT= 2.0 DELPHI= 10.0 !MINPK= 75.0 !WFAC1= 1.0 !PROFILE_FITTING= !MAX_FAC_Rmeas= 0.0 MINIMUM_ZETA= 0.05 SEPMIN= 4 ! For Pilatus or Eiger data CLUSTER_RADIUS= 2 ! For Pilatus or Eiger data !CORRECTIONS= MODULATION DECAY ABSORP DETECTOR= PILATUS MINIMUM_VALID_PIXEL_VALUE=0 OVERLOAD= 1048576 !PILATUS NX= 1475.0 ! to make CORRECT happy if frames are unavailable NY= 1679.0 QX= 0.172 QY= 0.172 !OVERLOAD= !MINIMUM_VALID_PIXEL_VALUE= 0 !SILICON= !atomic resolution ccd SENSOR_THICKNESS= 1.0 !DARK_CURRENT_IMAGE= !NUMBER_OF_IMAGES_IN_CACHE= 200 !X-GEO_CORR= !Y-GEO_CORR= UNTRUSTED_RECTANGLE= 487 495 0 1680 UNTRUSTED_RECTANGLE= 981 989 0 1680 UNTRUSTED_RECTANGLE= 0 1476 195 213 UNTRUSTED_RECTANGLE= 0 1476 407 425 UNTRUSTED_RECTANGLE= 0 1476 619 637 UNTRUSTED_RECTANGLE= 0 1476 831 849 UNTRUSTED_RECTANGLE= 0 1476 1043 1061 UNTRUSTED_RECTANGLE= 0 1476 1255 1273 UNTRUSTED_RECTANGLE= 0 1476 1467 1485