33
edits
Generate XDS.INP: Difference between revisions
→The script
(Fix downloading command (Generating generate_XDS.INP from this webpage)) |
|||
| Line 49: | Line 49: | ||
# revision 0.32 . Keitaro 3/2013 - add RAXIS support. only tested with RAXIS IV++ and VII. | # revision 0.32 . Keitaro 3/2013 - add RAXIS support. only tested with RAXIS IV++ and VII. | ||
# revision 0.33 . Keitaro 5/2013 - automatically set ROTATION_AXIS=-1 0 0 for SPring-8 BL32XU/41XU/44XU beamlines based on detector serial numbers. | # revision 0.33 . Keitaro 5/2013 - automatically set ROTATION_AXIS=-1 0 0 for SPring-8 BL32XU/41XU/44XU beamlines based on detector serial numbers. | ||
REVISION="0. | # revision 0.34 . Keitaro 5/2013 - recognize ADSC detectors in Photon Factory and choose correct beam center convention based on detector serial numbers. | ||
REVISION="0.34 (27-May-2013)" | |||
# | # | ||
# usage: e.g. generate_XDS.INP "frms/mydata_1_???.img" | # usage: e.g. generate_XDS.INP "frms/mydata_1_???.img" | ||
| Line 212: | Line 213: | ||
! Following are possible beam center interpretations for ADSC detectors" | ! Following are possible beam center interpretations for ADSC detectors" | ||
# at ESRF, PF, and ... (pls fill in!) the following should be used: | # at ESRF, PF, and ... (pls fill in!) the following should be used: | ||
ORGX1=`echo "scale=1; $BEAM_CENTER_Y/$QX" | bc -l` | |||
ORGY1=`echo "scale=1; $BEAM_CENTER_X/$QX" | bc -l` | |||
echo - at ESRF,PF BLs use: ORGX=$ | echo - at ESRF,PF BLs use: ORGX=$ORGX1 ORGY=$ORGY1 | ||
COMMENT_ORGXY="${COMMENT_ORGXY} | COMMENT_ORGXY="${COMMENT_ORGXY} | ||
! ORGX= $ | ! ORGX= $ORGX1 ORGY= $ORGY1 ! For ESRF,PF,..." | ||
# this 2nd alternative convention should be used at the following beamlines (pls complete the list): ALS 5.0.3, ... | # this 2nd alternative convention should be used at the following beamlines (pls complete the list): ALS 5.0.3, ... | ||
ORGX2=`echo "scale=1; $NX-$BEAM_CENTER_X/$QX" | bc -l ` | |||
ORGY2=`echo "scale=1; $BEAM_CENTER_Y/$QX" | bc -l ` | |||
echo - at e.g. ALS 5.0.3 use: ORGX=$ | echo - at e.g. ALS 5.0.3 use: ORGX=$ORGX2 ORGY=$ORGY2 | ||
COMMENT_ORGXY="${COMMENT_ORGXY} | COMMENT_ORGXY="${COMMENT_ORGXY} | ||
! ORGX= $ | ! 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, ... | ||
ORGX3=`echo "scale=1; $BEAM_CENTER_X/$QX" | bc -l ` | |||
ORGY3=`echo "scale=1; $NX-$BEAM_CENTER_Y/$QX" | bc -l ` | |||
echo - at e.g. ALS 8.2.2 use: ORGX=$ | echo - at e.g. ALS 8.2.2 use: ORGX=$ORGX3 ORGY=$ORGY3 - this is written to XDS.INP | ||
COMMENT_ORGXY="${COMMENT_ORGXY} | COMMENT_ORGXY="${COMMENT_ORGXY} | ||
! ORGX= $ | ! ORGX= $ORGX3 ORGY= $ORGY3 ! For ALS 8.2.2,.." | ||
# the latter alternative is written into the generated XDS.INP ! You have to correct this manually in XDS.INP, or adjust this script. | # the latter alternative is written into the generated XDS.INP ! You have to correct this manually in XDS.INP, or adjust this script. | ||
# Decision of beam center convention based on detector serial numbers. | |||
DET_SN=`grep DETECTOR_SN tmp2 | sed -e "s/DETECTOR_SN=//"` | |||
# For convention 1; Known PF detectors = 449: NW12A Q210, 472: NE3A Q270, 474: BL17A Q270, 912: BL5A Q315 | |||
ORG1_SNs=" | |||
449 | |||
472 | |||
474 | |||
912 | |||
" | |||
if echo "${DET_SN}${ORG1_SNs}" | sort | uniq -d | grep [0-9] > /dev/null; then | |||
ORGX=$ORGX1 | |||
ORGY=$ORGY1 | |||
else | |||
ORGX=$ORGX3 | |||
ORGY=$ORGY3 | |||
fi | |||
# find DETECTOR_DISTANCE and OSCILLATION_RANGE: | # find DETECTOR_DISTANCE and OSCILLATION_RANGE: | ||
DETECTOR_DISTANCE=`grep DISTANCE tmp2 | sed s/DISTANCE=//` | DETECTOR_DISTANCE=`grep DISTANCE tmp2 | sed s/DISTANCE=//` | ||