XDSGUI User tools: Difference between revisions

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   if(/BEAM +(\S*\d) +(\S*\d)/){ $x=$1; $y=$2; } # get X,Y beam
   if(/BEAM +(\S*\d) +(\S*\d)/){ $x=$1; $y=$2; } # get X,Y beam
}
}
# Read XDS.INP to get parameters needed to adjust for horizontal 2-theta offset (veritcal offsets not supported)
# Read XDS.INP to get parameters needed to adjust for horizontal 2-theta offset (vertical offsets not supported)
open(F,"<XDS.INP");
open(F,"<XDS.INP");
while(<F>){
while(<F>){
   if(/^[^!]*DETECTOR_DISTANCE= *(\S*\d)/){ $d=$1; } # d = detector distance
   if(/^[^!]*DETECTOR_DISTANCE= *(\S*\d)/){ $d=$1; } # d = detector distance
   if(/^[^!]*DIRECTION_OF_DETECTOR_X-AXIS= *(\S*\d) +\S*\d +(\S*\d)/){ $x1=$1; $x3=$2; } # x1,x3 = horizontal rotation part of X-axis
   if(/^[^!]*DIRECTION_OF_DETECTOR_X-AXIS= *(\S*\d) +\S*\d +(\S*\d)/){ $x1=$1; $x3=$2; } # x1,x3 = horizontal rotation part of X-axis
   if(/^[^!]*QX= *(\S*\d)/){$qx=$1;} # qx = detector resolition
   if(/^[^!]*QX= *(\S*\d)/){$qx=$1;} # qx = detector resolution
}
}
printf "ORGX=%.2f ORGY=%.2f\n",$x-$x3/$x1*$d/$qx, $y;'
printf "ORGX=%.2f ORGY=%.2f\n",$x-$x3/$x1*$d/$qx, $y;'
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<pre>
<pre>
X=$(perl -e 'open(F,"<IDXREF.LP");while(<F>){if(/BEAM +(\S*\d) +(\S*\d)/){$x=$1;$y=$2;}}open(F,"<XDS.INP");while(<F>){if(/^[^!]*DETECTOR_DISTANCE= *(\S*\d)/){$d=$1;}if(/^[^!]*DIRECTION_OF_DETECTOR_X-AXIS= *(\S*\d) +\S*\d +(\S*\d)/){$x1=$1;$x3=$2;}if(/^[^!]*QX= *(\S*\d)/){$qx=$1;}}printf "ORGX=%.2f ORGY=%.2f\n",$x-$x3/$x1*$d/$qx,$y;')&& sed -e 's/^ *\(ORGX=\)/'"$X"' !\1/;' XDS.INP>x && mv -f x XDS.INP
X=$(perl -e 'open(F,"<IDXREF.LP");while(<F>){if(/BEAM +(\S*\d) +(\S*\d)/){$x=$1;$y=$2;}}open(F,"<XDS.INP");while(<F>){if(/^[^!]*DETECTOR_DISTANCE= *(\S*\d)/){$d=$1;}if(/^[^!]*DIRECTION_OF_DETECTOR_X-AXIS= *(\S*\d) +\S*\d +(\S*\d)/){$x1=$1;$x3=$2;}if(/^[^!]*QX= *(\S*\d)/){$qx=$1;}}printf "ORGX=%.2f ORGY=%.2f\n",$x-$x3/$x1*$d/$qx,$y;')&& sed -e 's/^ *\(ORGX=\)/'"$X"' !\1/;' XDS.INP>x && mv -f x XDS.INP
</pre>
===Run Phenix xtriage===
Run phenix xtriage, and display the result in a text viewer. Change gview if necessary
<pre>
phenix.xtriage output_file_name.mtz  scaling.input.xray_data.obs_labels=IMEAN,SIGIMEAN >xtriage.log && gview xtriage.log
</pre>
</pre>
27

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