## 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 12

However, the formulae generalise naturally to an underlying entropy prior, such

as has been used to date in

incorporation of local correlation to yield significant improvements in all forms of

maximum ...

However, the formulae generalise naturally to an underlying entropy prior, such

as has been used to date in

**maximum entropy**analysis. We expect thisincorporation of local correlation to yield significant improvements in all forms of

maximum ...

Page 98

The evolution of the entropy and chi-squared is presented in Figure 3. Iteration

number Figure 3 Evolution of the entropy and chi-squared goodness of fit for the

construction of the

on ...

The evolution of the entropy and chi-squared is presented in Figure 3. Iteration

number Figure 3 Evolution of the entropy and chi-squared goodness of fit for the

construction of the

**maximum entropy**Patterson map. Both quantities are plottedon ...

Page 99

Table 1 Comparison of correct and observed (ex

map) interatomic vector positions and intensities for T1O2 ME Map x y z A ME

intensity True intensity Origin Peak 0.0000 0.0000 0.0000 0.0000 1.671 1.147 Ti-

0 ...

Table 1 Comparison of correct and observed (ex

**maximum entropy**Pattersonmap) interatomic vector positions and intensities for T1O2 ME Map x y z A ME

intensity True intensity Origin Peak 0.0000 0.0000 0.0000 0.0000 1.671 1.147 Ti-

0 ...

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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 distribution function elastic scattering energy error bars example experiment experimental Figure Fourier transform Gaussian GENIE GENIE-V3 histogram inelastic instrument intensity inverse ISIS least squares likelihood function magnetic structure magnetisation density 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 procedure quasielastic radial distribution functions 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 truncation UNIRAS unit cell vanadium vector wavelength workspace