## 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

APPLICATIONS TO PROBLEMS OF STRUCTURE DETERMINATION Application

of S A to

independantly from Kirkpatrick and Cerny's work, by russian scientists but ...

APPLICATIONS TO PROBLEMS OF STRUCTURE DETERMINATION Application

of S A to

**crystallographic**problems has been rather limited so far. It was initiated,independantly from Kirkpatrick and Cerny's work, by russian scientists but ...

Page 35

The question of the relationship between this procedure (probably better termed

is thereby still open (for a discussion of the combined use of molecular dynamics

...

The question of the relationship between this procedure (probably better termed

**crystallographic**refinement using molecular dynamics) and simulated annealingis thereby still open (for a discussion of the combined use of molecular dynamics

...

Page 94

The inevitable loss of information that results from the compression of three

dimensions of

can be a severe problem particularly with high symmetry systems. The purpose of

the ...

The inevitable loss of information that results from the compression of three

dimensions of

**crystallographic**data on to the one dimension of a powder patterncan be a severe problem particularly with high symmetry systems. The purpose of

the ...

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### Common terms and phrases

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