mantidproject / mantid

Main repository for Mantid code
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Engg:: Create script to process event data to GSS files #17211

Closed DavidFair closed 7 years ago

DavidFair commented 8 years ago

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 params

An 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.

FedeMPouzols commented 8 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.

DavidFair commented 8 years ago

An initial copy of the script has been sent out - we need feedback on where to go with this.