## 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 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 216

It has been shown (Felici et al 1989) that this approximation is equivalent to using

the

distribution at an interface by dividing it into a series of discreet layers. This

approach ...

It has been shown (Felici et al 1989) that this approximation is equivalent to using

the

**matrix**method (see equations 6 and 7) to describe a gaussian densitydistribution at an interface by dividing it into a series of discreet layers. This

approach ...

Page 247

USE use inverse masses to get inverse kinetic energy

Get symmetry coordinates U I r=Bx USER |lnternal coordinates r Atom positions x

Get B Get F-

USE use inverse masses to get inverse kinetic energy

**matrix**- 1 - 1 G = [BM B']Get symmetry coordinates U I r=Bx USER |lnternal coordinates r Atom positions x

Get B Get F-

**matrix**from Z-**matrix**I Get Btrans[FB] multiply by inverse masses ...### What people are saying - Write a review

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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