Generate XDS.INP: Difference between revisions

Line 5:

# purpose: generate XDS.INP

# revision 0.03 . Kay Diederichs 2/2010

# revision 0.04 . Kay Diederichs ~~26/~~4/2010

# revision 0.04 . Kay Diederichs 4/2010 - include alternative ORGX, ORGY calc for ADSC

# tested with own and some JCSG datasets; only MARCCD, ADSC/SMV, PILATUS detectors; for other detectors, values must be manually filled in.

#

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DETECTOR="ADSC MINIMUM_VALID_PIXEL_VALUE= 1 OVERLOAD= 65000"

echo this is an ADSC detector. there are at least two ~~conventions~~

echo this is an ADSC detector. there are at least two possibilites for obtaining ORGX, ORGY from the header ...

strings `head -1 tmp1` | sed s/\;// > tmp2

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ORGY=`grep BEAM_CENTER_Y tmp2 | sed s/BEAM_CENTER_Y=//`

# fix 2010-04-26 - tell user about possible ORGX, ORGY alternatives -

# according to Ingo Korndörfer, e.g. ~~at ESRF ID29~~ the following should be used:

# according to Ingo Korndörfer, at ESRF and ... (pls fill in!) the following should be used:

ORGX=`echo "scale=1; $ORGY/$QX" | bc -l `

ORGY=`echo "scale=1; $ORGX/$QX" | bc -l `

echo ATTENTION: at ESRF ~~ID29 and other~~ BLs use: ORGX=$ORGX ORGY=$ORGY (try these in XDS.INP !)

echo ATTENTION: at ESRF BLs use: ORGX=$ORGX ORGY=$ORGY (try these in XDS.INP !)

# whereas this alternative convention should be used at the following beamlines (pls complete the list):

# whereas this alternative convention should be used at the following beamlines (pls complete the list): ALS 8.2.2 and 5.0.3

ORGX=`echo "scale=1; $ORGX/$QX" | bc -l `

ORGY=`echo "scale=1; $NX-$ORGY/$QX" | bc -l `

@@ Line 5: / Line 5: @@
   # purpose: generate XDS.INP
   # revision 0.03 . Kay Diederichs 2/2010
-  # revision 0.04 . Kay Diederichs 26/4/2010
+  # revision 0.04 . Kay Diederichs 4/2010 - include alternative ORGX, ORGY calc for ADSC
   # tested with own and some JCSG datasets; only MARCCD, ADSC/SMV, PILATUS detectors; for other detectors, values must be manually filled in.
   #
@@ Line 111: / Line 111: @@
     DETECTOR="ADSC MINIMUM_VALID_PIXEL_VALUE= 1 OVERLOAD= 65000"
-    echo this is an ADSC detector. there are at least two conventions
+    echo this is an ADSC detector. there are at least two possibilites for obtaining ORGX, ORGY from the header ...
     strings `head -1 tmp1` | sed s/\;// > tmp2
@@ Line 123: / Line 123: @@
         ORGY=`grep BEAM_CENTER_Y tmp2 | sed s/BEAM_CENTER_Y=//`
   # fix 2010-04-26 - tell user about possible ORGX, ORGY alternatives -
-  # according to Ingo Korndörfer, e.g. at ESRF ID29 the following should be used:
+  # according to Ingo Korndörfer, at ESRF and ... (pls fill in!) the following should be used:
         ORGX=`echo "scale=1; $ORGY/$QX" | bc -l `
         ORGY=`echo "scale=1; $ORGX/$QX" | bc -l `
-        echo ATTENTION: at ESRF ID29 and other BLs use: ORGX=$ORGX ORGY=$ORGY (try these in XDS.INP !)
+        echo ATTENTION: at ESRF BLs use: ORGX=$ORGX ORGY=$ORGY (try these in XDS.INP !)
-  # whereas this alternative convention should be used at the following beamlines (pls complete the list):
+  # whereas this alternative convention should be used at the following beamlines (pls complete the list): ALS 8.2.2 and 5.0.3
         ORGX=`echo "scale=1; $ORGX/$QX" | bc -l `
         ORGY=`echo "scale=1; $NX-$ORGY/$QX" | bc -l `