PD Software Tests#

Here we are posting the powder diffraction manual tests that we have been performing to make sure the data processing software is producing consistent result as the updating of the underlying software and architecture.

June-2025#

POWGEN#

Testing date: 06/30/2025

Tested version: Mantid (6.12.0) \(\Leftrightarrow\) Mantid (6.12.20250624.0926)

Tested items: Auto reduction (IPTS-36029, run number: 60456), manual reduction (with the configuration file located at /SNS/PG3/IPTS-36029/shared/autoreduce/caching/snspowderreduction.xml on ORNL Analysis)

Status

Notes

AutoRed - Manual

Manually run the auto reduction locally

ManualRed - w/ AbsCorr

See the XML file mentioned above

ManualRed - w/o AbsCorr

Load in the XML mentioned above and disable AbsCorr

Calibration

N/A

POWGEN pins an earlier version of Mantid for calibration

NOMAD#

Testing date: 06/30/2025

Tested version: Mantid (6.10.0.1) \(\Leftrightarrow\) Mantid (6.12.20250624.0926)

Tested items: Auto reduction (IPTS-32855, run number: 203287), manual reduction (with the input file located at /SNS/NOM/IPTS-32855/shared/autoreduce/single_bank/Input on ORNL Analysis)

Status

Notes

AutoRed - Manual

Manually run the auto reduction locally

ManualRed - w/ Caching

See the mentioned XML file above. Run with mts

ManualRed - w/o Caching

Load in the XML mentioned above and add in the "ReCaching": true entry. Run with mts

Calibration

-

HB-2A (POWDER)#

Testing date: 06/30/2025

Tested version: Tested version: Mantid (6.12.0) \(\Leftrightarrow\) Mantid (6.12.20250624.0926)

Tested items: Auto reduction (IPTS-33944, run number: HB2A_exp1043_scan0063), manual reduction (see the input here)

Status

Notes

AutoRed - Manual

Manually run the auto reduction locally

ManualRed

Launch Mantid Workbench and refer to the inputs above

HB-2C (WAND\(^2\))#

Testing date: 06/30/2025

Tested version: Tested version: Mantid (6.12.0) \(\Leftrightarrow\) Mantid (6.12.20250624.0926)

Tested items: Auto reduction (IPTS-34142, run number: 1606639), manual reduction (use the script located at /HFIR/HB2C/shared/WANDscripts/pd_testing/HB2C_filter_parallel_06302025.py on ORNL Analysis)

Status

Notes

AutoRed - Manual

Manually run the auto reduction locally

ManualRed

Run the script mentioned above with mantidpython and mantidpythonnightly