## 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 95

J P(u) v Although the observations are no longer Fourier coefficients of any

meaningful function, equation 1 is nevertheless linear and, if the

divided into A/P/x pixels may be expressed in the form % G, = £ □**/»* ( i = 1

NOBS ) ...

J P(u) v Although the observations are no longer Fourier coefficients of any

meaningful function, equation 1 is nevertheless linear and, if the

**Patterson map**isdivided into A/P/x pixels may be expressed in the form % G, = £ □**/»* ( i = 1

NOBS ) ...

Page 97

XYO Fourier Potterson section for Ti02 XTO ME Patterson section for TK)2 d XY(l/

2) Fouler Patterson section for T102 XY(1/2) ME Patterson section for TK32

Figure 2 Figures 2a-c: Sections of the

XYO Fourier Potterson section for Ti02 XTO ME Patterson section for TK)2 d XY(l/

2) Fouler Patterson section for T102 XY(1/2) ME Patterson section for TK32

Figure 2 Figures 2a-c: Sections of the

**Patterson map**synthesised by Fourier ...Page 98

Figures 2a-c show sections of the

transformation of the equipartioned squares of the structure factor magnitudes

obtained from the Pawley refinement. Broad features dominate the maps with

clear ...

Figures 2a-c show sections of the

**Patterson map**obtained by direct Fouriertransformation of the equipartioned squares of the structure factor magnitudes

obtained from the Pawley refinement. Broad features dominate the maps with

clear ...

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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