XDSGUI User tools: Difference between revisions

Line 12:

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");

while(<F>){

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(/^[^!]*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;'

Line 26:

<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

</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>

@@ Line 12: / Line 12: @@
    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");
 while(<F>){
    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=$2; } # x1,x3 = horizontal rotation part of X-axis
-   if(/^[^!]*QX= *(\S*\d)/){$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, $y;'
@@ Line 26: / Line 26: @@
 <pre>
 X=$(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
+</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>