Dear ccp4bb, I am quite a fan of XDS and have just upgraded to the latest version.
Normally, to assess the quality of my data, I look at the tables in CORRECT.LP and especially the table "SUBSET OF INTENSITY DATA WITH SIGNAL/NOISE >= 0.0 AS FUNCTION OF RESOLUTION".
However in my latest run I only get a single table for all the data i.e. for signal/noise >= -3.0. Is there a command I can put in my XDS.INP that will give me all the other tables or has the CORRECT.LP logfile been altered in the most recent version of XDS?
(FYI my xds.inp obtained from the ESRF last week is copied below) Thanks, Simon !=== File Automaticaly generated by mxCuBE !=== X-Ray data collected at: ESRF_ID14-1 !=== Detector type: ADSC Quantum Q210 !=== Date: Fri Feb 04 03:39:09 2011 !=== User comments: JOB= ALL !XYCORR INIT COLSPOT IDXREF DEFPIX XPLAN INTEGRATE CORRECT !JOB= DEFPIX XPLAN INTEGRATE CORRECT DATA_RANGE= 1 190 SPOT_RANGE= 1 20 SPOT_RANGE= 1 4 !SPOT_RANGE= 187 190 BACKGROUND_RANGE= 1 4 SECONDS=60 MINIMUM_NUMBER_OF_PIXELS_IN_A_SPOT= 6 STRONG_PIXEL= 6.0 OSCILLATION_RANGE= 1.000 STARTING_ANGLE= 0.000 STARTING_FRAME= 1 X-RAY_WAVELENGTH= 0.93340 NAME_TEMPLATE_OF_DATA_FRAMES= ./data/sk1_1_???.img !STARTING_ANGLES_OF_SPINDLE_ROTATION= 0 180 10 !TOTAL_SPINDLE_ROTATION_RANGES= 60 180 10 DETECTOR_DISTANCE= 298.55 DETECTOR= ADSC MINIMUM_VALID_PIXEL_VALUE= 1 OVERLOAD= 65000 ORGX= 1014.79 ORGY= 1029.10 NX= 2048 NY= 2048 QX= 0.10200 QY= 0.10200 VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS= 7000 30000 DIRECTION_OF_DETECTOR_X-AXIS= 1.0 0.0 0.0 DIRECTION_OF_DETECTOR_Y-AXIS= 0.0 1.0 0.0 ROTATION_AXIS= 1.0 0.0 0.0 INCIDENT_BEAM_DIRECTION= 0.0 0.0 1.0 FRACTION_OF_POLARIZATION= 0.98 POLARIZATION_PLANE_NORMAL= 0.0 1.0 0.0 !== Default value recommended !AIR= 0.00026895 SPACE_GROUP_NUMBER= 0 UNIT_CELL_CONSTANTS= 0 0 0 0 0 0 INCLUDE_RESOLUTION_RANGE= 50.0 2.4 RESOLUTION_SHELLS= 15.0 8.0 4.0 3.0 2.8 2.6 2.5 2.4 FRIEDEL'S_LAW= FALSE !FRIEDEL'S_LAW= TRUE TRUSTED_REGION= 0 1.40 REFINE(INTEGRATE)= BEAM ORIENTATION CELL !== Default value recommended !DELPHI= 3.000 MAXIMUM_NUMBER_OF_PROCESSORS= 16 !MAXIMUM_NUMBER_OF_JOBS= 16
