## 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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Results 1-3 of 6

Page 95

J rf5« Although the observations are no longer Fourier coefficients of any

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

divided into NPIX pixels may be expressed in the form Nnx Gi = 2>*f* ( ' = 1

NOBS ) 2 ...

J rf5« Although the observations are no longer Fourier coefficients of any

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

**Patterson map**isdivided into NPIX pixels may be expressed in the form Nnx Gi = 2>*f* ( ' = 1

NOBS ) 2 ...

Page 97

XY(1/2) Fourier Patterson section for Ti02 XY(1/2) ME Patterson section for Ti02

Figure 2 Figures 2a-c: Sections of the

transformation of the squares of the structure factor magnitudes obtained from the

...

XY(1/2) Fourier Patterson section for Ti02 XY(1/2) ME Patterson section for Ti02

Figure 2 Figures 2a-c: Sections of the

**Patterson map**synthesised by Fouriertransformation of the squares of the structure factor magnitudes obtained from the

...

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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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