## 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 101

By comparison with the Standard

cleaner maps by at least one order of magnitude. One can now "see" the

magnetisation in a crystal, which was not possible using the standard procedure,

due to ...

By comparison with the Standard

**Inverse**Fourier method, MaxEnt yields muchcleaner maps by at least one order of magnitude. One can now "see" the

magnetisation in a crystal, which was not possible using the standard procedure,

due to ...

Page 247

USE use

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

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 ...Page 267

The programs have been embedded within a menu system to make them more

accessible to inexperienced users, and modified for

spectrometers. A number of additional routines have been written in order to aid

users with ...

The programs have been embedded within a menu system to make them more

accessible to inexperienced users, and modified for

**inverse**geometryspectrometers. A number of additional routines have been written in order to aid

users with ...

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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