Hi Irwin,
You should use the master.h5 file, I am not sure why that is not
working. However, if you collected at Diamond, it is also possible to
reprocess your data directly from IspyB, which is very easy and
convenient if you just want to reprocess with different resolution
https://www.diamond.ac.uk/Instruments/Mx/Common/Common-Manual/Data-Analysis/Reprocessing-in-ISPyB.html
<https://www.diamond.ac.uk/Instruments/Mx/Common/Common-Manual/Data-Analysis/Reprocessing-in-ISPyB.html>
BW,
D
On 22/12/2020 16:53, Irwin Selvam wrote:
Hi,
I'd like to reprocess some data that were collected on an Eiger2
detector at Diamond with Xia2Dials using CCP4i2's GUI. I'm running
CCP4i2 on a 64-bit Windows 10 machine. The data were processed
successfully at Diamond with no obvious pathologies, the high
resolution limit was just a little generous. The folder in question
contains a Diamond specific file (.nsx extension), two image files
(.h5), a header (.cbf), a master (.h5) and meta file (.h5). I've tried
pointing Xia2 to the folder itself (which works when processing data
collected on PILATUS detectors) and each of the files contained
therein (except the Diamond specific file). Each time this results in
the error " -ERROR- None:56 Error in wrapper xia2_dials 0.0:: External
process exited with exit code != 0 Process: C:\CCP4-7\7.1\bin\xia2.bat
-ERROR- None:47 Error in wrapper xia2_dials 0.0:: Error in checking
external process after completion exit status and code: 0 1". I've
attached the error, debug etc files for a representative 'run' to this
email. Which files do I need to point xia2 towards to get it to run?
Any help would be appreciated.
All the best,
Irwin
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Dom Bellini, Xray Crystallography Facility (1S205)
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