2,652
edits
Generate XDS.INP: Difference between revisions
replace the which stuff with whereis stuff
(which catmar, which mccd_xdsparams.pl instead of /usr/local/bin) |
(replace the which stuff with whereis stuff) |
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# revision 0.04 . Kay Diederichs 4/2010 - include alternative ORGX, ORGY calculations for ADSC | # revision 0.04 . Kay Diederichs 4/2010 - include alternative ORGX, ORGY calculations for ADSC | ||
# revision 0.05 . Kay Diederichs 5/2010 - grep for "Corrected" in addition to "marccd" (needed for BESSY); a bit of error handling | # revision 0.05 . Kay Diederichs 5/2010 - grep for "Corrected" in addition to "marccd" (needed for BESSY); a bit of error handling | ||
# revision 0.06 . KD 6/2010 - add UNTRUSTED_RECTANGLE and UNTRUSTED_ELLIPSE; use ` | # revision 0.06 . KD 6/2010 - add UNTRUSTED_RECTANGLE and UNTRUSTED_ELLIPSE; use `whereis catmar` and so on | ||
# tested with some datasets from ALS, SSRL, SLS, ESRF and BESSY; only MARCCD, ADSC/SMV, PILATUS detectors; for other detectors, values must be manually filled in. | # tested with some datasets from ALS, SSRL, SLS, ESRF and BESSY; only MARCCD, ADSC/SMV, PILATUS detectors; for other detectors, values must be manually filled in. | ||
# | # | ||
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# - for ADSC detectors, there are at least three ways to obtain ORGX and ORGY values from the header (see below); | # - for ADSC detectors, there are at least three ways to obtain ORGX and ORGY values from the header (see below); | ||
# the "imgheader" program that I have delivers better values, but I don't know how and why. | # the "imgheader" program that I have delivers better values, but I don't know how and why. | ||
# - for MarCCD detectors: don't know how to distinguish between header info in pixels or mm leads to ad-hoc BESSY treatment | |||
# | # | ||
# notes for debugging of the script: | # notes for debugging of the script: | ||
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if [ "$DET" == "XXX" ]; then | if [ "$DET" == "XXX" ]; then | ||
echo "this is not a | echo "this is not a MarCCD, ADSC/SMV or PILATUS detector - fill in XXX values manually!" | ||
DETECTOR="XXX MINIMUM_VALID_PIXEL_VALUE=XXX OVERLOAD=XXX" | DETECTOR="XXX MINIMUM_VALID_PIXEL_VALUE=XXX OVERLOAD=XXX" | ||
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DETECTOR="CCDCHESS MINIMUM_VALID_PIXEL_VALUE= 1 OVERLOAD= 65000" | DETECTOR="CCDCHESS MINIMUM_VALID_PIXEL_VALUE= 1 OVERLOAD= 65000" | ||
echo this a a MARCCD detector | echo this a a MARCCD detector | ||
if [ | PROG=`whereis -b catmar` | ||
if [ "$PROG" != "catmar:" ]; then | |||
# inspect frame header and get rid of blanks in imgheader output: | # inspect frame header and get rid of blanks in imgheader output: | ||
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else | else | ||
PROG=`whereis -b mccd_xdsparams.pl` | |||
if [ "$PROG" != "mccd_xdsparams:" ]; then | |||
mccd_xdsparams.pl -v `head -1 tmp1` > tmp2 | mccd_xdsparams.pl -v `head -1 tmp1` > tmp2 | ||
X_RAY_WAVELENGTH=`awk '/X-RAY_WAVELENGTH/{print $2}' tmp2` | X_RAY_WAVELENGTH=`awk '/X-RAY_WAVELENGTH/{print $2}' tmp2` | ||