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Generate XDS.INP: Difference between revisions
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→The script: revision 1.15
m (→The script: add empty line after <pre> because otherwise the wget and curl commands omit the #!/bin/bash line) |
(→The script: revision 1.15) Tags: Mobile edit Mobile web edit Advanced mobile edit |
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# Append detector specific parameters from $HOME/.xds-site/${DET}_${DET_SN} | # Append detector specific parameters from $HOME/.xds-site/${DET}_${DET_SN} | ||
# Cleaned up section for creating XDS.INP | # Cleaned up section for creating XDS.INP | ||
REVISION="1. | # revision 1.15 . KD 22/05/2023 fix bug with second argument leading to usage message. Updating links. | ||
REVISION="1.15 (22-May-2023)" | |||
# | # | ||
| Line 158: | Line 159: | ||
# ====== Start of script ====== | # ====== Start of script ====== | ||
echo generate_XDS.INP version $REVISION . Obtain the latest version from | echo generate_XDS.INP version $REVISION . Obtain the latest version from | ||
echo http:// | echo http://wiki.uni-konstanz.de/xds/index.php/generate_XDS.INP | ||
if [ "$1" == "help" ] || [ "$1" == "-help" ] || [ "$1" == "-h" ] || [ "$1" = | if [ "$1" == "help" ] || [ "$1" == "-help" ] || [ "$1" == "-h" ] || [ "$1" == "" ] || ! [[ "$1" =~ \?\?|_master\.h5 ]]; then | ||
echo usage: generate_XDS.INP \"/file/system/frms/mydata_1_???.img\" \(_with_ the quotation marks!\) | echo usage: generate_XDS.INP \"/file/system/frms/mydata_1_???.img\" \(_with_ the quotation marks!\) | ||
echo If the frames are compressed leave out the extension .bz2, .gz, or .xz! | echo If the frames are compressed leave out the extension .bz2, .gz, or .xz! | ||
| Line 998: | Line 999: | ||
! written by generate_XDS.INP version $REVISION | ! written by generate_XDS.INP version $REVISION | ||
! For more details on XDS parameters, please check the online documentation at | ! For more details on XDS parameters, please check the online documentation at | ||
! http://xds. | ! http://xds.mr.mpg.de/html_doc/xds_parameters.html | ||
! | ! | ||
! Full documentation, including complete detector templates, at xds.mr.mpg.de . | ! Full documentation, including complete detector templates, at xds.mr.mpg.de . | ||
! More documentation in | ! More documentation in wiki.uni-konstanz.de/xds/index.php . | ||
! After running xds, inspect at least the agreement of predicted and observed | ! After running xds, inspect at least the agreement of predicted and observed | ||
! spots in FRAME.cbf! | ! spots in FRAME.cbf! | ||
| Line 1,055: | Line 1,056: | ||
! attention CCD detectors: for very high resolution (better than 1A) make sure to specify SILICON | ! attention CCD detectors: for very high resolution (better than 1A) make sure to specify SILICON | ||
! as about 32* what CORRECT.LP suggests (absorption of phosphor is much higher than that of silicon). | ! as about 32* what CORRECT.LP suggests (absorption of phosphor is much higher than that of silicon). | ||
! Better: read the article http:// | ! Better: read the article http://wiki.uni-konstanz.de/xds/index.php/SILICON . | ||
NX= $NX NY= $NY QX= $QX QY= $QY ! to make CORRECT happy if frames are unavailable | NX= $NX NY= $NY QX= $QX QY= $QY ! to make CORRECT happy if frames are unavailable | ||
$LIB | $LIB | ||
| Line 1,258: | Line 1,259: | ||
echo XDS.INP is ready for use. The file has only the most important keywords. | echo XDS.INP is ready for use. The file has only the most important keywords. | ||
echo Full documentation, including complete detector templates, at xds.mr.mpg.de . | echo Full documentation, including complete detector templates, at xds.mr.mpg.de . | ||
echo More documentation in | echo More documentation in wiki.uni-konstanz.de/xds/index.php . | ||
echo After running xds, inspect at least the agreement of predicted and observed | echo After running xds, inspect at least the agreement of predicted and observed | ||
echo spots in FRAME.cbf! | echo spots in FRAME.cbf! | ||