## 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 29

Application of this criterion requires the evaluation of C and e and appears to be

rather difficult for most combinatorial problems; a

calculating these quantities from first principles but only preliminary results are ...

Application of this criterion requires the evaluation of C and e and appears to be

rather difficult for most combinatorial problems; a

**method**is oudined in [5.11] forcalculating these quantities from first principles but only preliminary results are ...

Page 64

... which is fulfilling the same role that the entropy function does in the standard

ME

correlated unless the data are strong enough to reduce that correlation, while

standard ...

... which is fulfilling the same role that the entropy function does in the standard

ME

**method**. The difference is that (14) assumes the distribution to be highlycorrelated unless the data are strong enough to reduce that correlation, while

standard ...

Page 165

RMC is a

disordered materials that agree quantitatively with the available diffraction data.

No interatomic potential is required and data from different sources (neutrons, X-

rays, ...

RMC is a

**method**for producing three dimensional models of the structure ofdisordered materials that agree quantitatively with the available diffraction data.

No interatomic potential is required and data from different sources (neutrons, X-

rays, ...

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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