## 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 227

When using

where the generalised Shannon- Jaynes entropy S is given by (Skilling 1989): i

V V where Pj is the flux in j* pixel of the digitised

When using

**MaxEnt**we assume a prior p.d.f. of the form prob[p(z)] » exp(aS),where the generalised Shannon- Jaynes entropy S is given by (Skilling 1989): i

V V where Pj is the flux in j* pixel of the digitised

**reconstruction**of p(z) and {m.Page 228

3(b) the resultant

the data and indicates that the MaxEnt solution is perfectly acceptable as far as

the data are concerned. Fig. 3(d) was the true object, or test profile. We notice ...

3(b) the resultant

**MaxEnt reconstruction**of the density profile. Fig. 3(c) is the fit tothe data and indicates that the MaxEnt solution is perfectly acceptable as far as

the data are concerned. Fig. 3(d) was the true object, or test profile. We notice ...

Page 229

The

profile, although we can see some resemblance of a symmetrised version of the

test object. Notice, however, that the fit to the data is excellent! Note also that the

test ...

The

**MaxEnt reconstruction**of Fig. 6(b) is not a good guide to the true densityprofile, although we can see some resemblance of a symmetrised version of the

test object. Notice, however, that the fit to the data is excellent! Note also that the

test ...

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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