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
... Patterson entropy ' S = NPIX -Σ Pk In ( Pk / Qk ) k = 1 3 ( Qk is the a priori estimate , assumed flat , of the Patterson map ) while maintaining faithful agree- ment with the observed data D ; ( standard deviation σ ; ) through the chi ...
... Patterson entropy ' S = NPIX -Σ Pk In ( Pk / Qk ) k = 1 3 ( Qk is the a priori estimate , assumed flat , of the Patterson map ) while maintaining faithful agree- ment with the observed data D ; ( standard deviation σ ; ) through the chi ...
Page 97
... Patterson section for TiO2 0.75- 0.5- 0.25- 0.0 - f 0.0 30 a y - axis 0.75 ... map synthesised by Fourier transformation of the squares of the structure ... Patterson map obtained by maximum entropy reconstruction from the observed clumps ...
... Patterson section for TiO2 0.75- 0.5- 0.25- 0.0 - f 0.0 30 a y - axis 0.75 ... map synthesised by Fourier transformation of the squares of the structure ... Patterson map obtained by maximum entropy reconstruction from the observed clumps ...
Page 98
M. W. Johnson. Figures 2a - c show sections of the Patterson map obtained by direct Fourier transformation of the equipartioned squares of the structure factor magnitudes obtained from the Pawley refine- ment . Broad features dominate the ...
M. W. Johnson. Figures 2a - c show sections of the Patterson map obtained by direct Fourier transformation of the equipartioned squares of the structure factor magnitudes obtained from the Pawley refine- ment . Broad features dominate the ...
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Common terms and phrases
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