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2VB1: Difference between revisions
→XDS.INP; as generated by generate_XDS.INP
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== Example: sweep e == | == Example: sweep e == | ||
=== [[XDS.INP]]; as generated by [[generate_XDS.INP]] === | === [[XDS.INP]]; as generated by [[generate_XDS.INP]] === | ||
... and including the changes concerning ORGX= 3130 ORGY= 3040, MAXIMUM_NUMBER_OF_PROCESSORS=2 | |||
MAXIMUM_NUMBER_OF_JOBS=8, and TRUSTED_REGION=0.00 1.5 : | |||
<pre> | |||
JOB= XYCORR INIT COLSPOT IDXREF DEFPIX INTEGRATE CORRECT | |||
MAXIMUM_NUMBER_OF_PROCESSORS=2 | |||
MAXIMUM_NUMBER_OF_JOBS=8 | |||
ORGX= 3130 ORGY= 3040 ! check these values with adxv ! | |||
DETECTOR_DISTANCE= 99.9954 | |||
OSCILLATION_RANGE= 0.500 | |||
X-RAY_WAVELENGTH= 0.6525486 | |||
NAME_TEMPLATE_OF_DATA_FRAMES=../../APS/19-ID/2vb1/p1lyso_e.0???.img | |||
! REFERENCE_DATA_SET=xxx/XDS_ASCII.HKL ! e.g. to ensure consistent indexing | |||
DATA_RANGE=1 360 | |||
SPOT_RANGE=1 180 | |||
! BACKGROUND_RANGE=1 10 ! rather use defaults (first 5 degree of rotation) | |||
SPACE_GROUP_NUMBER=0 ! 0 if unknown | |||
UNIT_CELL_CONSTANTS= 70 80 90 90 90 90 ! put correct values if known | |||
INCLUDE_RESOLUTION_RANGE=50 0 ! after CORRECT, insert high resol limit; re-run CORRECT | |||
FRIEDEL'S_LAW=FALSE ! This acts only on the CORRECT step | |||
! If the anom signal turns out to be, or is known to be, very low or absent, | |||
! use FRIEDEL'S_LAW=TRUE instead (or comment out the line); re-run CORRECT | |||
! remove the "!" in the following line: | |||
! STRICT_ABSORPTION_CORRECTION=TRUE | |||
! if the anomalous signal is strong: in that case, in CORRECT.LP the three | |||
! "CHI^2-VALUE OF FIT OF CORRECTION FACTORS" values are significantly> 1, e.g. 1.5 | |||
! | |||
! 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 | |||
! | |||
! parameters with changes wrt default values: | |||
TRUSTED_REGION=0.00 1.5 ! partially use corners of detectors; 1.41421=full use | |||
VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS=7000. 30000. ! often 8000 is ok | |||
MINIMUM_ZETA=0.05 ! integrate close to the Lorentz zone; 0.15 is default | |||
STRONG_PIXEL=6 ! COLSPOT: only use strong reflections (default is 3) | |||
MINIMUM_NUMBER_OF_PIXELS_IN_A_SPOT=3 ! default of 6 is sometimes too high | |||
REFINE(INTEGRATE)=CELL BEAM ORIENTATION ! AXIS DISTANCE | |||
! parameters specifically for this detector and beamline: | |||
DETECTOR= ADSC MINIMUM_VALID_PIXEL_VALUE= 1 OVERLOAD= 65000 | |||
NX= 6144 NY= 6144 QX= 0.051294 QY= 0.051294 ! to make CORRECT happy if frames are unavailable | |||
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 ! at e.g. SERCAT ID-22 this needs to be -1 0 0 | |||
FRACTION_OF_POLARIZATION=0.98 ! better value is provided by beamline staff! | |||
POLARIZATION_PLANE_NORMAL=0 1 0 | |||
</pre> | |||
=== [[CORRECT.LP]] main table; 1st pass === | === [[CORRECT.LP]] main table; 1st pass === | ||