## Neutron scattering data analysis 1990: invited and contributed papers from the Conference on Neutron Scattering Data Analysis held at the Rutherford Appleton Laboratory, Chilton, 14-16 March 1990 |

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Page 34

Although they had to discretize the problem to limit the computing time (trial

atomic positions are located on a grid of about 0.3A spacing), their success at

reaching a topologically correct solution shows that the global

optimization ...

Although they had to discretize the problem to limit the computing time (trial

atomic positions are located on a grid of about 0.3A spacing), their success at

reaching a topologically correct solution shows that the global

**approach**tooptimization ...

Page 58

In practice the question of what prior information to introduce is subjective and

different choices can lead to quite different conclusions. 2. THE MONTE CARLO

...

In practice the question of what prior information to introduce is subjective and

different choices can lead to quite different conclusions. 2. THE MONTE CARLO

**APPROACH**In the Monte Carlo (MC)**approach**it is assumed that there exists an...

Page 62

THE MINIMUM NOISE

the problems of deconvolution and Fourier inversion an heuristic argument is

used here. There is an implicit assumption in most problems of physical interest

that ...

THE MINIMUM NOISE

**APPROACH**In order to develop a practical**approach**tothe problems of deconvolution and Fourier inversion an heuristic argument is

used here. There is an implicit assumption in most problems of physical interest

that ...

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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 detector bank 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 least squares likelihood function magnetic structure magnetisation density Markov chain matrix MaxEnt Reconstruction Maximum Entropy McGreevy measured method molecular Monte Carlo 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 scattering law shown simulated annealing single crystal solution spectra spectrometer spectrum statistical structure factor symmetry technique temperature time-of-flight UNIRAS unit cell vanadium vector wavelength workspace