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 58
... MONTE CARLO APPROACH In the Monte Carlo ( MC ) approach it is assumed that there exists an ensemble of distributions , Nj , k , and the k'th distribution occurs with probability P , with prior probabilities in b . The entropy of the ...
... MONTE CARLO APPROACH In the Monte Carlo ( MC ) approach it is assumed that there exists an ensemble of distributions , Nj , k , and the k'th distribution occurs with probability P , with prior probabilities in b . The entropy of the ...
Page 59
... Monte Carlo technique as shown below . Again A is the undetermined multiplier which controls how well the x2 constraint is satisfied . 4. COMPARISON OF MONTE CARLO AND MAXIMUM ENTROPY In the Monte Carlo approach , in order to proceed on ...
... Monte Carlo technique as shown below . Again A is the undetermined multiplier which controls how well the x2 constraint is satisfied . 4. COMPARISON OF MONTE CARLO AND MAXIMUM ENTROPY In the Monte Carlo approach , in order to proceed on ...
Page 165
... Monte Carlo ( RMC ) simulation : modelling structural disorder in crystals , glasses and liquids from diffraction data 165 R L McGreevyt , M A Howet , D A Keen ‡ and K N Clausen§ † Clarendon Laboratory , Parks Road , Oxford , OX1 3PU ...
... Monte Carlo ( RMC ) simulation : modelling structural disorder in crystals , glasses and liquids from diffraction data 165 R L McGreevyt , M A Howet , D A Keen ‡ and K N Clausen§ † Clarendon Laboratory , Parks Road , Oxford , OX1 3PU ...
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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