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 175
... McGreevy ( 1990 ) using RMC . The experimental and fitted structure factors are shown in figure 1. This study illustrates the ability of RMC to combine different 8.0 6.0 4.0 2.0 8.0 6.0 4.0 2.0 Bosio ( 0 ) 0.6 0.4 0.2 15.0 10.0 5.0 1.0 ...
... McGreevy ( 1990 ) using RMC . The experimental and fitted structure factors are shown in figure 1. This study illustrates the ability of RMC to combine different 8.0 6.0 4.0 2.0 8.0 6.0 4.0 2.0 Bosio ( 0 ) 0.6 0.4 0.2 15.0 10.0 5.0 1.0 ...
Page 177
... ( McGreevy and Pusztai ( 1990 ) ) and the resulting structure then used as the starting point for mod- elling the total structure factor of ZnCl2 glass ( no isotopic substitution ) ( Pusztai and McGreevy ( 1990 ) ) . Since the structures ...
... ( McGreevy and Pusztai ( 1990 ) ) and the resulting structure then used as the starting point for mod- elling the total structure factor of ZnCl2 glass ( no isotopic substitution ) ( Pusztai and McGreevy ( 1990 ) ) . Since the structures ...
Page 279
... McGreevy R L , 165 Moreton - Smith C , 69 Pannetier J , 23 Papoular R J , 101 Penfold J , 213 Piltz R O , 135 Prager M , 267 Pynn R , 45 Rennie A R , 233 Richardson R M , 267 Rodriguez J , 117 Samulowitz H , 253 Schmidt W , 253 Sibisi S ...
... McGreevy R L , 165 Moreton - Smith C , 69 Pannetier J , 23 Papoular R J , 101 Penfold J , 213 Piltz R O , 135 Prager M , 267 Pynn R , 45 Rennie A R , 233 Richardson R M , 267 Rodriguez J , 117 Samulowitz H , 253 Schmidt W , 253 Sibisi S ...
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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