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Generate XDS.INP: Difference between revisions
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rev 0.52
(rev 0.52) |
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# revision 0.50 . KD 03/2015 workaround for Mar-1 change of parameter name "DISTANCE" to "POSITION" in REFINE(*) keywords | # revision 0.50 . KD 03/2015 workaround for Mar-1 change of parameter name "DISTANCE" to "POSITION" in REFINE(*) keywords | ||
# revision 0.51 . Keitaro 03/2015 add .gz and .xz support and remove limitation - frame numbers can start with any. | # revision 0.51 . Keitaro 03/2015 add .gz and .xz support and remove limitation - frame numbers can start with any. | ||
REVISION="0. | # revision 0.52 . Keitaro 05/2015 fix ADSC beam center convention for SPring-8 and DET_SN acquisition for PILATUS (didn't work on Mac) | ||
REVISION="0.52 (25-May-2015)" | |||
# | # | ||
# usage: e.g. generate_XDS.INP "/file/system/frms/mydata_1_???.img" | # usage: e.g. generate_XDS.INP "/file/system/frms/mydata_1_???.img" | ||
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! ORGX= $ORGX2 ORGY= $ORGY2 ! For ALS 5.0.3,.." | ! ORGX= $ORGX2 ORGY= $ORGY2 ! For ALS 5.0.3,.." | ||
# this 3rd alternative convention should be used at the following beamlines (pls complete the list): ALS 8.2.2, ... | # this 3rd alternative convention should be used at the following beamlines (pls complete the list): ALS 8.2.2, ... | ||
# this alternative is written into the generated XDS.INP ! You have to correct this manually in XDS.INP, or adjust this script. | |||
ORGX3=`echo "scale=1; $BEAM_CENTER_X/$QX" | bc -l ` | ORGX3=`echo "scale=1; $BEAM_CENTER_X/$QX" | bc -l ` | ||
ORGY3=`echo "scale=1; $NX-$BEAM_CENTER_Y/$QX" | bc -l ` | ORGY3=`echo "scale=1; $NX-$BEAM_CENTER_Y/$QX" | bc -l ` | ||
echo - at e.g. ALS 8.2.2 use: ORGX=$ORGX3 ORGY=$ORGY3 - this is written to XDS.INP | echo - at e.g. ALS 8.2.2 use: ORGX=$ORGX3 ORGY=$ORGY3 - this is written to XDS.INP if beamline is not detected | ||
COMMENT_ORGXY="${COMMENT_ORGXY} | COMMENT_ORGXY="${COMMENT_ORGXY} | ||
! ORGX= $ORGX3 ORGY= $ORGY3 ! For ALS 8.2.2, SPring-8,.." | ! ORGX= $ORGX3 ORGY= $ORGY3 ! For ALS 8.2.2,.." | ||
# this 4th alternative convention should be used at the following beamlines (pls complete the list): SPring-8, ... | |||
ORGX4=`echo "scale=1; $BEAM_CENTER_X/$QX" | bc -l ` | |||
ORGY4=`echo "scale=1; $BEAM_CENTER_Y/$QX" | bc -l ` | |||
echo - at e.g. SPring-8 use: ORGX=$ORGX4 ORGY=$ORGY4 | |||
COMMENT_ORGXY="${COMMENT_ORGXY} | |||
! ORGX= $ORGX4 ORGY= $ORGY4 ! For SPring-8,.." | |||
# Decision of beam center convention based on detector serial numbers. | # Decision of beam center convention based on detector serial numbers. | ||
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923 | 923 | ||
933 | 933 | ||
" | |||
ORG4_SNs=" | |||
915 | |||
" | " | ||
if echo "${DET_SN}${ORG1_SNs}" | sort | uniq -d | grep [0-9] > /dev/null; then | if echo "${DET_SN}${ORG1_SNs}" | sort | uniq -d | grep [0-9] > /dev/null; then | ||
ORGX=$ORGX1 | ORGX=$ORGX1 | ||
ORGY=$ORGY1 | ORGY=$ORGY1 | ||
elif echo "${DET_SN}${ORG4_SNs}" | sort | uniq -d | grep [0-9] > /dev/null; then | |||
ORGX=$ORGX4 | |||
ORGY=$ORGY4 | |||
else | else | ||
ORGX=$ORGX3 | ORGX=$ORGX3 | ||
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# get detector serial number and check if it is included in the list | # get detector serial number and check if it is included in the list | ||
# Known detectors for reversed-phi in SPring-8: BL41XU PILATUS3 6M 60-0125 | # Known detectors for reversed-phi in SPring-8: BL41XU PILATUS3 6M 60-0125 | ||
DET_SN=`grep "Detector:" tmp2 | sed "s/^.*Detector: | DET_SN=`grep "Detector:" tmp2 | sed "s/^.*Detector: *//"` | ||
REVERSEPHI_SNs=" | REVERSEPHI_SNs=" | ||
PILATUS3 6M, S/N 60-0125 | PILATUS3 6M, S/N 60-0125 | ||