Sep 19 – 22, 2022
Paul Scherer Institute, Villigen, Switzerland
Europe/Zurich timezone

Current state of data analysis at the Necsa Neutron Diffaction Facility

Sep 19, 2022, 4:20 PM
WHGA/Auditorium and online (Paul Scherer Institute, Villigen, Switzerland)

WHGA/Auditorium and online

Paul Scherer Institute, Villigen, Switzerland

Paul Scherrer Institute Forschungsstrasse 111 CH-5232-Villigen-PSI
Oral NOBUGS 2022


Dr Deon Marais (The South African Nuclear Energy Corporation (Necsa) SOC Limited)


This presentation will give an overview of the current state of ScanManipulator, the data reduction, analysis, and visualisation software implemented at the Neutron Diffraction Facility at the SAFARI-1 research reactor in South Africa. ScanManipulator was developed in-house to automate a number of processes associated with the Materials Probe for Internal Strain Investigation (MPISI) and Powder Instrument for Transition in Structure Investigations (PITSI) angular dispersive neutron difftractometers.

Notable functionalities include: automated flat field, geometric, 2D and 3D neutron attenuation correction; data combining; sample surface determination through analytical entry curve functions; Gauss and Voight peak fitting procedures; 2D and polar plots through Matplotlib; 3D plots through Mayavi; artificial neural networks through Fann2; data export to Excel, FullProf and GSAS; near real time peak fitting and statistical analysis to optimise counting time.

An outlook on the future Neutron Beam Line Centre at the envisaged new Multi-Purpose Reactor will also be given.

Email address of presenting author

Primary author

Dr Deon Marais (The South African Nuclear Energy Corporation (Necsa) SOC Limited)

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