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 25
... Markov chain , with constant transition probabilities . The states of the chain are points in the D.N dimensional configuration space of the system of dimension D. The object of the method is to generate a Markov chain in which ...
... Markov chain , with constant transition probabilities . The states of the chain are points in the D.N dimensional configuration space of the system of dimension D. The object of the method is to generate a Markov chain in which ...
Page 27
... Markov chain . The number Lt of MC cycles to perform at each temperature is determined by the concept of quasi ... Markov chains at low temperature , when the acceptance rate drops down , L , must however be ceiled by some constant Lmax ...
... Markov chain . The number Lt of MC cycles to perform at each temperature is determined by the concept of quasi ... Markov chains at low temperature , when the acceptance rate drops down , L , must however be ceiled by some constant Lmax ...
Page 28
... Markov chains ; they proved that for update functions of the form : Ti = Y log ( t + to + 1 ) t = 0,1,2 , .... where to is any parameter satisfying 1 to ∞ , the Markov chain is strongly ergodic ( i.e. any point in the configuration ...
... Markov chains ; they proved that for update functions of the form : Ti = Y log ( t + to + 1 ) t = 0,1,2 , .... where to is any parameter satisfying 1 to ∞ , the Markov chain is strongly ergodic ( i.e. any point in the configuration ...
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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