Closed DavidFair closed 7 years ago
The GSAS instrument parameters files are produced by the calibration tab of the Engg GUI, with names like ENGINX_236516_241391_all_banks.prm
and ENGINX_236516_241391_bank_North.prm
inside Calibration
. From there we need the files with parameters for the individual banks.
In addition to those, we need to save the histogram files. These are produced by the focusing tab (the files named like ENGINX_256663_bank_1.gss
inside Focus
.
You can find this in the code in EnggDiffractionPresenter.cpp
when they use saveGSS
. The focused files with extension .gss
are for GSAS, the ones with extension .dat
are for TOPAS, and the ones with extension .his
are for OpenGenie.
An initial copy of the script has been sent out - we need feedback on where to go with this.
As the instrument scientists start moving to running more experiments with event workspaces we need to write a script which processes these workspaces for them
The script should perform the following steps: Read an Event workspace Split the data
Rebin to histogram Focus the file
(EnggFocus)
Save a GSS file with paramsAn example run is as follows Vanadium: 246043 CeO2: 249918 Run: 250165
Due to this run being extremely large the reading and splitting stage will fail due to an upstream bug in HDF. For this reason the script should be split at this stage so the reading and splitting happens on the patched Mantid build:
https://github.com/mantidproject/mantid/tree/quick_dirty_fix_enginx_large_event_files_christopher_manchester
A patched executable can be found for testing:https://www.dropbox.com/s/1kov4m5kkcvm9qe/mantid-3.7.20160705.1624-win64.exe?dl=0
However as this patch is only applicable in this situation we need the issue to be resolved in the upstream.