Analysing neutron scattering data using McStas virtual experiments

With the intention of developing a new data analysis method using virtual experiments we have built a detailed virtual model of the cold triple-axis spectrometer RITA-II at PSI, Switzerland, using the McStas neutron ray-tracing package. The parameters characterising the virtual instrument were carefully tuned against real experiments. In the present paper we show that virtual experiments reproduce experimentally observed linewidths within 1-3% for a variety of samples. Furthermore we show that the detailed knowledge of the instrumental resolution found from virtual experiments, including sample mosaicity, can be used for quantitative estimates of linewidth broadening resulting from, e.g., finite domain sizes in single-crystal samples. (C) 2010 Elsevier B.V. All rights reserved.