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XDS.INP: Difference between revisions
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* There may be decoding errors in the parameter which may lead to obscure error messages. E.g., see what happens if you provide only one cell parameter instead of six! | * There may be decoding errors in the parameter which may lead to obscure error messages. E.g., see what happens if you provide only one cell parameter instead of six! | ||
== Example XDS.INP file == | |||
JOB=XYCORR INIT COLSPOT IDXREF DEFPIX INTEGRATE CORRECT | |||
! for this experiment: | |||
ORGX=1330 ORGY=1321 | |||
DETECTOR_DISTANCE=550 | |||
OSCILLATION_RANGE=0.25 | |||
X-RAY_WAVELENGTH=1.0001 | |||
NAME_TEMPLATE_OF_DATA_FRAMES=../mk/mk04_1_0????.cbf CBF | |||
DATA_RANGE=1 720 | |||
SPOT_RANGE=1 720 | |||
SPACE_GROUP_NUMBER=0 | |||
!UNIT_CELL_PARAMETERS= 70 80 90 90 90 90 | |||
! parameters with changes wrt default values: | |||
TRUSTED_REGION=0.00 1.15 | |||
VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS=8000. 30000. | |||
MINIMUM_ZETA=0.05 | |||
INCLUDE_RESOLUTION_RANGE=50 0 | |||
STRONG_PIXEL=6 | |||
BACKGROUND_RANGE=1 5 | |||
MAXIMUM_NUMBER_OF_PROCESSORS=4 | |||
! parameters specifically for this detector and beamline: | |||
DETECTOR=PILATUS NX=2463 NY=2527 QX=0.172 QY=0.172 !PILATUS 6M | |||
DIRECTION_OF_DETECTOR_X-AXIS=1 0 0 | |||
DIRECTION_OF_DETECTOR_Y-AXIS=0 1 0 | |||
INCIDENT_BEAM_DIRECTION=0 0 1 | |||
ROTATION_AXIS=1 0 0 | |||
FRACTION_OF_POLARIZATION=0.99 | |||
POLARIZATION_PLANE_NORMAL=0 1 0 | |||
! (for the Pilatus detector, one might want to add SILICON and UNTRUSTED_RECTANGLE | |||
! keywords here, but if they are omitted, data reduction nevertheless works well) | |||