Add scripts for TOPAZ SCD reduction.

[Dennis Mikkelson]

Several scripts that USE Mantid to reduce SCD data from TOPAZ have been written and tested. These scripts support the initial reduction steps including conversion to an MD workspace, peak finding, indexing, conventional cell choice and integration by one of several different methods. The scripts include a simple mechanism for reducing multiple runs in parallel, using a separate process for each run, launched from a python script. While users will typically copy and customize these scripts, they should be added to the mantid distribution to make them easily available.

[Dennis Mikkelson]

RE 6397 Scripts for TOPAZ/MANDI SCD reduction

These scripts use Mantid, but are intended to be run separately. In particular, the ReduceSCD_Parallel.py script includes a simple mechanism for reducing multiple runs in parallel, by launching separate command line processes for each run. Each of these process is an instance of ReduceOneSCD_Run.py. The same .config file can be used for reducing one run at a time with ReduceOneSCD_Run.py and for reducing multiple runs in parallel with ReduceSCD_Parallel.py. ReduceSCD.config is a sample configuration file. It will have to be edited to place the output files in the correct directory and to reduce different runs with different control parameters. The python files and .config file are heavily documented, so their use should be clear. Typically, users should copy these files to their home directories and customize them as needed. refs #6397

Changeset: 6ce9a7fd028534eea29f3d44f1fc726ae415fc1c

[Dennis Mikkelson]

Note to tester: The three scripts and a sample configuration file are in Code/Mantid/scripts/SCD_Reduction. The sample configuration file is set up to reduce a set of eight sapphire runs from TOPAZ, from June 2012, and should run on the SNS Linux cluster. To verify this, copy the three python scripts and the configuration file to a sub-directory in your home directory. Edit the configuration file to place the output in that sub-directory. Run the parallel execution version by typing:

python ReduceSCD_Parallel.py ReduceSCD.config

The script should launch 8 parallel processes which should generate intermediate results for each run plus the final combined .integrate file, with indexing corresponding to a Rhobohedral R cell, in about four minutes.

[Vickie Lynch]

Ran correctly on analysis.sns.gov in about 4 min.

[Stuart Campbell]

This ticket has been transferred to github issue ​7243