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 32
... solution The quality of the final solution which assesses the ability of the procedure to reach a near- globally optimum can be quantified by the difference in cost value between this solution and the true globally minimal configuration ...
... solution The quality of the final solution which assesses the ability of the procedure to reach a near- globally optimum can be quantified by the difference in cost value between this solution and the true globally minimal configuration ...
Page 59
... solution for p ; and therefore N ; in the case of a linear transform is N ; = Bjezp [ -`Σ - 2 ( D ; – Mi , k ) σ ? Ti . where Ti ,; is the transform matrix from N ; to M¡ : ( 5 ) M ; = Στ ;; Ν ; Nj ( 6 ) Although equation ( 5 ) is ...
... solution for p ; and therefore N ; in the case of a linear transform is N ; = Bjezp [ -`Σ - 2 ( D ; – Mi , k ) σ ? Ti . where Ti ,; is the transform matrix from N ; to M¡ : ( 5 ) M ; = Στ ;; Ν ; Nj ( 6 ) Although equation ( 5 ) is ...
Page 226
... solutions ; ( iii ) if one has a good starting model then the analysis begins much closer to the desired solution , thereby reducing the risk getting stuck in a local solution . The big disadvantage of the standard approach is the flip ...
... solutions ; ( iii ) if one has a good starting model then the analysis begins much closer to the desired solution , thereby reducing the risk getting stuck in a local solution . The big disadvantage of the standard approach is the flip ...
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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