## 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 79

invited and contributed papers from the Conference on Neutron Scattering Data

Analysis held at the Rutherford Appleton Laboratory, Chilton, 14-16 March 1990

M. W. Johnson. Example 1 .

invited and contributed papers from the Conference on Neutron Scattering Data

Analysis held at the Rutherford Appleton Laboratory, Chilton, 14-16 March 1990

M. W. Johnson. Example 1 .

**PROCEDURE**S PARAMETER Specno = INTEGER !Page 80

\ ! second workspace Wtemp=WORKSPACE ! result workspace ! Calculate an

average normalization spectrum ! check the lengths just in case IF Len(W.XV) ...

**PROCEDURE**USER-PLUS PARAMETER \ ! 'V is continuation V= WORKSPACE\ ! second workspace Wtemp=WORKSPACE ! result workspace ! Calculate an

average normalization spectrum ! check the lengths just in case IF Len(W.XV) ...

Page 165

It is not obvious in most cases how the potential should be altered to improve the

level of agreement; an iterative

expensive and has only been applied in one or two instances. The RMC method

...

It is not obvious in most cases how the potential should be altered to improve the

level of agreement; an iterative

**procedure**is computationally extremelyexpensive and has only been applied in one or two instances. The RMC method

...

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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