Mag2Pol: a program for the analysis of spherical neutron polarimetry, flipping ratio and integrated intensity data

Abstract

Mag2Pol is a graphical user interface program which is devoted to the treatment of data from polarized neutron diffractometers with spherical polarization analysis. Nuclear and magnetic structure models can be introduced using space-group symbols and individual symmetry operators, respectively, and viewed in an OpenGL widget. The program calculates nuclear/magnetic structure factors, flipping ratios and polarization matrices for magnetic Bragg reflections, taking into account structural twins and magnetic domains. Spherical neutron polarimetry data can be analyzed by refining a magnetic structure model including magnetic domain populations in a least-squares fit and can also be correlated with an integrated intensity data set in a joint refinement. Further features are the simultaneous refinement of nuclear and magnetic structures with integrated intensity data and the analysis of flipping ratios either with tabulated magnetic form factors or using a multipole expansion of the magnetization density.