Popis: |
Methods of profile analysis of time-of-flight neutron diffraction data containing contributions from several materials have been developed and have been used to fit patterns obtained from materials under high pressure. Several hundred diffraction lines from up to four different materials can be analyzed simultaneously. The analysis yields the atomic positions, lattice parameters, temperature factors, preferred orientation parameters, and scale factors directly from fitting the raw data. The scale factors can be used to estimate the percentages of each component contributing to the pattern. |