DMCpy: A powder and single crystal neutron diffraction software for DMC

TL;DR

DMCpy is a Python software package designed to efficiently analyze high-resolution neutron diffraction data from the upgraded DMC diffractometer, supporting both powder and single-crystal studies with advanced visualization and data processing tools.

Contribution

It introduces a modular, Python-based tool that streamlines data reduction, visualization, and analysis for complex neutron diffraction datasets from the DMC instrument.

Findings

Enhanced data processing speed and accuracy.

Improved visualization capabilities like 3D reciprocal space mapping.

Streamlined workflows for nuclear and magnetic structure analysis.

Abstract

The recently upgraded DMC diffractometer at SINQ, equipped with a state-of-the-art 2D He detector, enables high-resolution neutron diffraction experiments optimized for both powder and single-crystal studies. To address the increased complexity and volume of data produced by this instrument, we developed DMCPy, a Python-based software package tailored specifically for DMC data analysis. DMCPy facilitates seamless data reduction and visualization, supporting conversion to reciprocal space, normalization, and masking of detector artifacts. Its modular architecture integrates tools for analyzing both powder diffraction patterns and single-crystal datasets, including advanced visualization features like 3D reciprocal space mapping and interactive scan inspection. By streamlining workflows and enhancing data interpretation, DMCPy empowers researchers to unlock the full potential of the DMC instrument for probing nuclear and magnetic structures in condensed matter systems.