## 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 24

although such an approach would asymptotically find a global optimum with

probability one, it would increase considerably the computation time; for instance,

in the case of combinatorial problems the number of possible

although such an approach would asymptotically find a global optimum with

probability one, it would increase considerably the computation time; for instance,

in the case of combinatorial problems the number of possible

**configurations**is ...Page 25

3.1

optimization problems, simply consists in giving a description of possible system

solve.

3.1

**Configuration**of the system to optimize This first step, common to alloptimization problems, simply consists in giving a description of possible system

**configurations**(solutions) by identifying the variable parameters of the problem tosolve.

Page 31

3.5.4 Acceptance ratio Apr) This parameter is actually an indicator of the

efficiency of the exploration of the

high at the beginning of the annealing and progressively drop to a small to

negligeable ...

3.5.4 Acceptance ratio Apr) This parameter is actually an indicator of the

efficiency of the exploration of the

**configuration**space of the problem : it must behigh at the beginning of the annealing and progressively drop to a small to

negligeable ...

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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