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 93
... reflection overlap , only a relatively small number of reflections may have uniquely determined intensities . ( For example , the cubic reflections ( 550 ) , ( 710 ) , and ( 543 ) exactly overlap . ) In this paper , a maximum entropy ...
... reflection overlap , only a relatively small number of reflections may have uniquely determined intensities . ( For example , the cubic reflections ( 550 ) , ( 710 ) , and ( 543 ) exactly overlap . ) In this paper , a maximum entropy ...
Page 96
... reflections were refined as separate variables with the proviso that reflections that were close together ( typically less than 10 % of the full - width at half maximum ) were constrained to have equal structure factor magnitudes ...
... reflections were refined as separate variables with the proviso that reflections that were close together ( typically less than 10 % of the full - width at half maximum ) were constrained to have equal structure factor magnitudes ...
Page 153
... reflections averaged : ( ii ) 19 further reflections , again of type ( hhl ) , collected at higher statistics and chosen since they are expected to exhibit the effects of anharmonicity in a most obvious way . These reflections were ...
... reflections averaged : ( ii ) 19 further reflections , again of type ( hhl ) , collected at higher statistics and chosen since they are expected to exhibit the effects of anharmonicity in a most obvious way . These reflections were ...
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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 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 matrix MaxEnt Reconstruction Maximum Entropy McGreevy measured method molecular Momentum Transfer 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 Qmaz 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