## 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 5

Thus f = Ch where C is the intrinsic correlation

faithful to our underlying prior ideas about the configuration space x on which it

operates. Being part of our prior model, it is to be independent of the particular

points ...

Thus f = Ch where C is the intrinsic correlation

**matrix**. The**matrix**C should befaithful to our underlying prior ideas about the configuration space x on which it

operates. Being part of our prior model, it is to be independent of the particular

points ...

Page 151

Given the provision of an accurate UB

software package, integrated intensities are extracted from the raw data using

Wilkinson's modification of the o(I)/I method (Wilkinson. 1986; Wilkinson et al.

1988).

Given the provision of an accurate UB

**matrix**from the earlier stages of thesoftware package, integrated intensities are extracted from the raw data using

Wilkinson's modification of the o(I)/I method (Wilkinson. 1986; Wilkinson et al.

1988).

Page 247

USER use inverse masses to get inverse kinetic energy

Get symmetry coordinates U 1 |lnternal coordinates r Atom positions x Get B

USER Get F-

Htemp ...

USER use inverse masses to get inverse kinetic energy

**matrix**G" 1= [BM 1 B,]Get symmetry coordinates U 1 |lnternal coordinates r Atom positions x Get B

USER Get F-

**matrix**from Z-**matrix**I Get Btrans[FB] multiply by inverse massesHtemp ...

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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