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Generate XDS.INP: Difference between revisions
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revision 0.14
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# revision 0.12 . KD 7/2010 - fix for negative PHISTART | # revision 0.12 . KD 7/2010 - fix for negative PHISTART | ||
# revision 0.13 . KD 8/2010 - store correct NX NY QX QY in XDS.INP | # revision 0.13 . KD 8/2010 - store correct NX NY QX QY in XDS.INP | ||
# revision 0.14 . KD 1/2011 - SENSOR_THICKNESS for Pilatus; MINIMUM_NUMBER_OF_PIXELS_IN_A_SPOT=3 | |||
# | # | ||
# usage: e.g. generate_XDS.INP "frms/mydata_1_???.img" | # usage: e.g. generate_XDS.INP "frms/mydata_1_???.img" | ||
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# list frames matching the wildcards in NAME_TEMPLATE_OF_DATA_FRAMES | # list frames matching the wildcards in NAME_TEMPLATE_OF_DATA_FRAMES | ||
# don't accept the "direct beam" shot at SLS/Pilatus | # don't accept the "direct beam" shot at SLS/Pilatus PX-I and PX-II | ||
/bin/ls -C1 $1 | | /bin/ls -C1 $1 | egrep -v "_00000.cbf|_000.img" > tmp1 || exit 1 | ||
# we can continue - the frames are found | # we can continue - the frames are found | ||
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elif [ "$DET" == "pilatus" ]; then | elif [ "$DET" == "pilatus" ]; then | ||
DETECTOR="PILATUS MINIMUM_VALID_PIXEL_VALUE=0 OVERLOAD= 1048576 | DETECTOR="PILATUS MINIMUM_VALID_PIXEL_VALUE=0 OVERLOAD= 1048576 SENSOR_THICKNESS=0.32 !PILATUS 6M" | ||
NX=2463 NY=2527 QX=0.172 QY=0.172 | NX=2463 NY=2527 QX=0.172 QY=0.172 | ||
echo this is a Pilatus detector | echo this is a Pilatus detector | ||
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MINIMUM_ZETA=0.05 ! integrate close to the Lorentz zone; 0.15 is default | 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) | 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 | REFINE(INTEGRATE)=CELL BEAM ORIENTATION ! AXIS DISTANCE | ||
! parameters specifically for this detector and beamline: | ! parameters specifically for this detector and beamline: | ||
DETECTOR= $DETECTOR | DETECTOR= $DETECTOR | ||
NX= $NX NY= $NY QX= $QX QY= $QY ! to make CORRECT happy if frames are unavailable | |||
DIRECTION_OF_DETECTOR_X-AXIS=1 0 0 | DIRECTION_OF_DETECTOR_X-AXIS=1 0 0 | ||
DIRECTION_OF_DETECTOR_Y-AXIS=0 1 0 | DIRECTION_OF_DETECTOR_Y-AXIS=0 1 0 | ||