## 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 115

The magnetisation density is projected along the c axis. The Fourier transform (A,

B) produces huge truncation effects. In the 3-D orthographic projections (A,C,E),

the magnetic Holmium

The magnetisation density is projected along the c axis. The Fourier transform (A,

B) produces huge truncation effects. In the 3-D orthographic projections (A,C,E),

the magnetic Holmium

**atom**projects onto the upper corner whereas the Cu(l), ...Page 168

The total probability of Ac is TTlQ TTlQ where mg is the number of Qi points in AE

and (n *<«o) In order to model the structure of a system using AE we therefore

wish to create a statistical ensemble of

...

The total probability of Ac is TTlQ TTlQ where mg is the number of Qi points in AE

and (n *<«o) In order to model the structure of a system using AE we therefore

wish to create a statistical ensemble of

**atoms**whose structure factor satisfies the...

Page 195

The partial pair distribution function (r) is defined so that gu, (r)dr is the average

number of V

definition of this statement is as follows; . N, N,, W = Wi £ EW' + Ri(°l-RH°))) (=G#(

r,0)) ...

The partial pair distribution function (r) is defined so that gu, (r)dr is the average

number of V

**atoms**in a volume dr which is r away from an /**atom**. A formaldefinition of this statement is as follows; . N, N,, W = Wi £ EW' + Ri(°l-RH°))) (=G#(

r,0)) ...

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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