Neutron Scattering Data Analysis 1990, Proceedings of the Conference on Neutron Scattering, 14-16 March 1990, Rutherford Appleton Laboratory, UKM. W. Johnson |
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Page 95
... diffraction analysis , negative Patterson densities may result from the analysis of neutron powder diffraction data . In such cases the Patterson map is divided into two arrays with intrinsically positive and negative contributions ...
... diffraction analysis , negative Patterson densities may result from the analysis of neutron powder diffraction data . In such cases the Patterson map is divided into two arrays with intrinsically positive and negative contributions ...
Page 118
... data Analysis , Powder diffraction patterns ) is described , and then its application to a specific study concerning the topotactic dehydration of molybdenum trioxide dihydrate is presented . 2. NEUTRON POWDER DIFFRACTION DATA ANALYSIS ...
... data Analysis , Powder diffraction patterns ) is described , and then its application to a specific study concerning the topotactic dehydration of molybdenum trioxide dihydrate is presented . 2. NEUTRON POWDER DIFFRACTION DATA ANALYSIS ...
Page 120
... pattern . STRAP has been designed to make such a sequential analysis of data as convenient and automatic as possible . Of course refinement of single neutron ( or X - ray ) powder diffraction patterns is also possible with STRAP ...
... pattern . STRAP has been designed to make such a sequential analysis of data as convenient and automatic as possible . Of course refinement of single neutron ( or X - ray ) powder diffraction patterns is also possible with STRAP ...
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additional algorithm allows analysis angle applications approach atoms average beam Bragg calculated cell combinatorial optimization configuration constant coordinates correction corresponding cost counts cross-section crystal deconvolution defined density dependent described detector determined diffraction direct display distribution effects elastic scattering energy error estimate example experiment experimental Figure final Fourier function give given inelastic intensity ISIS known limit magnetic Maximum Entropy measured method neutron neutron scattering normalization obtained optimization parameters particular peak performed Phys physical plot positive possible powder presented prior probability problem procedure radial distribution functions range reconstruction References refinement reflections resolution sample scale scan shown shows simulated annealing single solution space spectrum standard statistical structure factor temperature transfer transform unit usually vanadium vector wavelength