Neutron Scattering Data Analysis 1990, Proceedings of the Conference on Neutron Scattering, 14-16 March 1990, Rutherford Appleton Laboratory, UKM. W. Johnson |
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Page 182
... calculated ' diffuse ' structure factor with the data directly after each move until x2 is minimised . Using this method speeds up the calculation since the ' diffuse ' structure factor may be calculated as a difference between the ...
... calculated ' diffuse ' structure factor with the data directly after each move until x2 is minimised . Using this method speeds up the calculation since the ' diffuse ' structure factor may be calculated as a difference between the ...
Page 208
... calculated by integrating I ( Q ) has better statistical accuracy than that calculated from the measured transmission and also it avoids possible experimental problems with mea- suring the transmission . When calculating otot ( A ) from ...
... calculated by integrating I ( Q ) has better statistical accuracy than that calculated from the measured transmission and also it avoids possible experimental problems with mea- suring the transmission . When calculating otot ( A ) from ...
Page 209
... calculated using Qmaz = 23.6Å1 whilst those on the right have Qmas = 50Å - 1 . The straight lines correspond to the constant density term To ( r ) . correct absolute normalisation . One reason for this is the discrete way in which the ...
... calculated using Qmaz = 23.6Å1 whilst those on the right have Qmas = 50Å - 1 . The straight lines correspond to the constant density term To ( r ) . correct absolute normalisation . One reason for this is the discrete way in which the ...
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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 determined diffraction data diffractometer distribution elastic scattering energy error bars example experiment experimental Figure Fourier transform Gaussian GENIE GENIE-V3 histogram inelastic instrument intensity interpolation inverse ISIS likelihood function magnetic structure Markov chain matrix MaxEnt Reconstruction Maximum Entropy McGreevy measured method molecular MoO3 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 Scatt scattering law shown simulated annealing single crystal solution spectra spectrometer spectrum statistical structure factor symmetry temperature time-of-flight truncation UNIRAS unit cell vanadium vector wavelength workspace