XDSGUI: Difference between revisions

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# both generate_XDS.INP and [[XDS]] do not seem to like spaces ("blanks") in file/directory names. While frame names rarely have a space in them, directories might, e.g. if an external disk has the label "John's USB disk" then this would be mounted on Linux as /media/John's USB disk/ and that would result in a error message from generate_XDS.INP and/or XDS. The '''workaround''' is to use a symlink on a different hard disk.  
# both generate_XDS.INP and [[XDS]] do not seem to like spaces ("blanks") in file/directory names. While frame names rarely have a space in them, directories might, e.g. if an external disk has the label "John's USB disk" then this would be mounted on Linux as /media/John's USB disk/ and that would result in a error message from generate_XDS.INP and/or XDS. The '''workaround''' is to use a symlink on a different hard disk.  
# ''Problem description: On the Mac, after loading frames, by clicking “generate XDS.INP”, the program gives some strange symbol “” in XDS.INP. And the more you click “save” button, the more “” appeared. This looks like <br>SPACE_GROUP_NUMBER=0  ! 0 if unknown <br>UNIT_CELL_CONSTANTS= 70 80 90 90 90 90  .''<br> The problem is due to the “Rich text” format in TextEdit when saving "generate_XDS.INP". It is solved by re-downloading the script, and changing format to Plain - everything is working now.
# ''Problem description: On the Mac, after loading frames, by clicking “generate XDS.INP”, the program gives some strange symbol “” in XDS.INP. And the more you click “save” button, the more “” appeared. This looks like <br>SPACE_GROUP_NUMBER=0  ! 0 if unknown <br>UNIT_CELL_CONSTANTS= 70 80 90 90 90 90  .''<br> The problem is due to the “Rich text” format in TextEdit when saving "generate_XDS.INP". It is solved by re-downloading the script, and changing format to Plain - everything is working now.
# Eiger data: see [[XDSGUI#Limitations]] below.
# on a Mac, you may find a stream of the following error messages in the console window: <code>Jan 31 14:35:17  xdsgui[20939] <Error>: Error: this application, or a library it uses, has passed an invalid numeric value (NaN, or not-a-number) to CoreGraphics API and this value is being ignored. Please fix this problem. Jan 31 14:35:17  xdsgui[20939] <Error>: If you want to see the backtrace, please set CG_NUMERICS_SHOW_BACKTRACE environmental variable.</code> This sounds terrible, but is actually harmless. Since it is a message from Qt (which XDSGUI uses for graphics), ''it does not compromise the XDS data processing in any way''. Just suppress the printout of these messages, by <code>xdsgui 2>&1 | egrep -v 'CoreGraphics|CG_NUMERICS'</code>


If you find a bug, please send email to Kay dot Diederichs at uni-konstanz dot de , with enough information/data to reproduce the bug.
If you find a bug, please send email to Kay dot Diederichs at uni-konstanz dot de , with enough information/data to reproduce the bug.
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* The display of large frames in the FRAME tab may be slow over the network.
* The display of large frames in the FRAME tab may be slow over the network.
* Eiger data may be processed like this: a) run <code>generate_XDS.INP /path/to/XXX_master.h5</code> in an empty directory, to produce XDS.INP. b) start XDSGUI in the same directory (or navigate there, from its ''Projects'' tab) c) you will not be able to use the ''Frame'' tab for looking at the raw data, but you could use the tab to look at FRAME.cbf or other XDS-produced images. d) you should use/check/modify XDS.INP as usual; all the other tabs work normally.
* Eiger data may be processed like this: a) run <code>generate_XDS.INP /path/to/XXX_master.h5</code> in an empty directory, to produce XDS.INP. b) start XDSGUI in the same directory (or navigate there, from its ''Projects'' tab) c) you will not be able to use the ''Frame'' tab for looking at the raw data, but you could use the tab to look at FRAME.cbf or other XDS-produced images. d) you should use/check/modify XDS.INP as usual; all the other tabs work normally.
* The green INCLUDE_RESOLUTION and red semi-transparent EXCLUDE_RESOLUTION_RANGE circles in the Frame tab as well as all resolution values in the Frame and IDXREF tan are calculated from values in XDS.INP (rather than from the refined values in XPARM.XDS, which XDS uses). For the (curved) Pilatus 12M, the calculations in XDSGUI do not give the correct results.
* The green INCLUDE_RESOLUTION and red semi-transparent EXCLUDE_RESOLUTION_RANGE circles in the Frame tab as well as all resolution values in the Frame and IDXREF tabs are calculated from values in XDS.INP (rather than from the refined values in XPARM.XDS, which XDS uses). For the (curved) Pilatus 12M, the calculations in XDSGUI do not give the correct results.


== News ==
== News ==
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update May 20, 2016: many bug fixes, rename XDSSTAT tab to <code>statistics</code> tab, include delta-CC<sub>1/2</sub> plot.
update May 20, 2016: many bug fixes, rename XDSSTAT tab to <code>statistics</code> tab, include delta-CC<sub>1/2</sub> plot.
update Jan 31, 2017: many bug fixes. Now works with Eiger HDF5 - select the *master.h5 file in the FRAME tab.


== See also ==
== See also ==


[[Installation]]
[[Installation]]
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