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 map is divided into Npx pixels may be ex- pressed in the form NPIX Σwik G1 = Σ Wik Pk ( i = 1 , ... , NOBS ) ... Patterson entropy ' NPIX S = -Σ Pk In ( Pk / Qk ) 3 k = 1 ( Qk is the a priori estimate , assumed flat , of the ...
... Patterson map is divided into Npx pixels may be ex- pressed in the form NPIX Σwik G1 = Σ Wik Pk ( i = 1 , ... , NOBS ) ... Patterson entropy ' NPIX S = -Σ Pk In ( Pk / Qk ) 3 k = 1 ( Qk is the a priori estimate , assumed flat , of the ...
Page 97
... Patterson section for TiO2 0.0- 0.0 0.0- 0.25 0.5 0.75 10 0.0 0.25 x - axis ... map synthesised by Fourier transformation of the squares of the structure ... Patterson map obtained by maximum entropy reconstruction from the observed ...
... Patterson section for TiO2 0.0- 0.0 0.0- 0.25 0.5 0.75 10 0.0 0.25 x - axis ... map synthesised by Fourier transformation of the squares of the structure ... Patterson map obtained by maximum entropy reconstruction from the observed ...
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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Acta Cryst algorithm applications approach atoms Bayesian beam Bragg peaks calculated configuration constraints coordinates corresponding cost function cross-section crystallographic Data Anal data analysis data set defined determined diffraction data diffractometer distribution elastic scattering energy error bars example experiment experimental Figure Fourier transform Gaussian GENIE GENIE-V3 histogram inelastic instrument intensity interpolation inverse ISIS likelihood function magnetic structure Markov chain matrix MaxEnt Reconstruction Maximum Entropy McGreevy measured method molecular MoO3 neutron diffraction neutron scattering normalisation normalization obtained optimisation optimization problems parameters Patterson map performed Phys plot positive powder diffraction presented at Neutron prior probability procedure quasielastic refinement reflectivity data resolution function ROTAX Rutherford Appleton Laboratory sample scan Scatt scattering law shown simulated annealing single crystal solution spectra spectrometer spectrum statistical structure factor symmetry temperature time-of-flight truncation UNIRAS unit cell vanadium vector wavelength workspace