## 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 1

The proper tool for analysing these is

and show how to incorporate a preference for "smooth" reconstructions into the

probabilistic framework. This is illustrated with synthetic interpolation data.

The proper tool for analysing these is

**probability**calculus. We stress this point,and show how to incorporate a preference for "smooth" reconstructions into the

probabilistic framework. This is illustrated with synthetic interpolation data.

Page 4

Anyway, we recognise the standard rules of

precisely for their original purpose of quantifying our preferences, and we are

entirely correct to identify our new codes Pr as

obey ...

Anyway, we recognise the standard rules of

**probability**calculus, being usedprecisely for their original purpose of quantifying our preferences, and we are

entirely correct to identify our new codes Pr as

**probability**values. They happen toobey ...

Page 48

We can summarise this inference with a conditional

the case of a neutron scattering experiment, for example, this would be prob[

Scattering law / Data, Experimental setup], where "/" means "given". The larger

the ...

We can summarise this inference with a conditional

**probability**distribution; forthe case of a neutron scattering experiment, for example, this would be prob[

Scattering law / Data, Experimental setup], where "/" means "given". The larger

the ...

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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