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 29
... method is outlined in [ 5.11 ] for calculating these quantities from first principles but only preliminary results are available yet . • The aforementionned schedules correspond to the standard simulated annealing method used in most ...
... method is outlined in [ 5.11 ] for calculating these quantities from first principles but only preliminary results are available yet . • The aforementionned schedules correspond to the standard simulated annealing method used in most ...
Page 64
... method . The difference is that ( 14 ) assumes the distribution to be highly correlated unless the data are strong enough to reduce that correlation , while standard ME with uniform prior assumes the distribution is uncorrelated unless ...
... method . The difference is that ( 14 ) assumes the distribution to be highly correlated unless the data are strong enough to reduce that correlation , while standard ME with uniform prior assumes the distribution is uncorrelated unless ...
Page 165
... method for producing three dimensional models of the structure of dis- ordered materials that agree quantitatively with the available diffraction data . No interatomic potential is required and data from different sources ( neutrons , X ...
... method for producing three dimensional models of the structure of dis- ordered materials that agree quantitatively with the available diffraction data . No interatomic potential is required and data from different sources ( neutrons , X ...
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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