## 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 103

2.2 Notations and basic equations Let the crystal be described by a

cj in direct space and (a*,6*,c*) be the related basis in reciprocal space. The

crystallographic direction n = (it, v,w) is set perpendicular to the horizontal

scattering ...

2.2 Notations and basic equations Let the crystal be described by a

**unit cell**(a, 6,cj in direct space and (a*,6*,c*) be the related basis in reciprocal space. The

crystallographic direction n = (it, v,w) is set perpendicular to the horizontal

scattering ...

Page 111

F(OOO), which is the averaged magnetization density over the

above example, one finds 2.02/is ... The

tanol suberate, each of which possesses two NO groups. Let us discuss the

projection ...

F(OOO), which is the averaged magnetization density over the

**unit cell**. In theabove example, one finds 2.02/is ... The

**unit cell**consists of two molecules oftanol suberate, each of which possesses two NO groups. Let us discuss the

projection ...

Page 181

In this particular model n = 8, i.e. the simulation configuration contains 83

calculated by averaging over all these individual

...

In this particular model n = 8, i.e. the simulation configuration contains 83

**unit****cells**. The density distribution in the (cubic) crystallographic**unit cell**can then becalculated by averaging over all these individual

**unit cells**(and also over multiple...

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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