## 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 106

R follows immediately that the sought probability law for F is normal, is centered

at F and has a standard deviation af, such that: t [A] £[A] 2.5 Incorporation of

spatial

collected at ...

R follows immediately that the sought probability law for F is normal, is centered

at F and has a standard deviation af, such that: t [A] £[A] 2.5 Incorporation of

spatial

**symmetry**requirements The magnetic structure factors Fm(K) arecollected at ...

Page 108

Prob{p(f)) (12) where Prob(X\Y) is the conditional probability of getting X knowing

Y , Prob(X) is the prior probability of X and p(f) is any 'feasible' spin density map

obeying the

Prob{p(f)) (12) where Prob(X\Y) is the conditional probability of getting X knowing

Y , Prob(X) is the prior probability of X and p(f) is any 'feasible' spin density map

obeying the

**symmetry**requirements. In the above formula, Prob(Data\p(f)) is the ...Page 248

However, constructing

experience for many users, particularly if no constraints are needed anyway, and

there is now the option to use the cartesian approach outlined above.

However, constructing

**symmetry**coordinates has proved to be a frustratingexperience for many users, particularly if no constraints are needed anyway, and

there is now the option to use the cartesian approach outlined above.

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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