Adjust the script ReduceOneSCD_Run to extend to the Mandi and other instruments

[Ruth Mikkelson]

The size of unit cells used by SCD instruments vary widely. Another parameter is needed for that and several other parameters need fine tuning.

[Ruth Mikkelson]

Refs #7238 Added and used a max_Q parameter

Also there was some minor tweaking

Changeset: 72f7316fb9d1181ec6724b1fcc296d299cee9594

[Dennis Mikkelson]

RE 7238_ImprvReduceSCDScript

Move max_Q earlier in the config file and add comment about the meaning of max_Q.

refs #7238

Changeset: 4bc3074c68c91c4c3114b298f4dc5cb8691d4e99

[Dennis Mikkelson]

Script configuration file for protein data, MANDI 306

[Dennis Mikkelson]

NOTES TO TESTER

The branch name is: feature/7238_ImprvReduceSCDScript

This script can be tested on the SNS LINUX cluster as follows:

1. Copy the four files in Code/Mantid/scripts/SCD_Reduction to a scratch directory.
2. Edit the file ReduceSCD.config and change the output directory to the scratch directory.
3. Run the script using: python ReduceOneSCD_Run.py ReduceSCD.config 5637
4. The script should finish in about a minute, producing .mat and .integrate files for the small molecule sapphire.
5. Copy the attached protein config file: ReduceMandi306.config to the scratch directory and as before, change the output directory to the scratch directory.
6. Run the script using: python ReduceOneSCD_Run.py ReduceMandi306.config 306
7. This is a large file, so the script will finish in about six minutes, producing .mat and .integrate files for the protein data.

This verifies that the updated scripts will work for both small and large molecule data.

[Alex Buts]

looks like simple and reasonable ticket which done properly, but I have no way of accessing MANDI files or anything looking like MANDI files.

The ticket can be verified by SNS only

[Vickie Lynch]

scripts work for me

[Stuart Campbell]

This ticket has been transferred to github issue ​8084