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 94
... structure factor magni- tudes , | F ( h ) | , of all measured Bragg reflections . ( N.B. I ( h ) a | F ( h ) | 2 ) , . 4. Application of direct methods or Patterson methods of structure solution using the ob- served structure factor ...
... structure factor magni- tudes , | F ( h ) | , of all measured Bragg reflections . ( N.B. I ( h ) a | F ( h ) | 2 ) , . 4. Application of direct methods or Patterson methods of structure solution using the ob- served structure factor ...
Page 103
... structure factors ) . Either the 3 - D Patterson function or 2 - D projections can be sought , exactly as in the Polarised Neutron Diffraction case . Moreover , the Patterson function is always centrosymmetric . The mathematics involved ...
... structure factors ) . Either the 3 - D Patterson function or 2 - D projections can be sought , exactly as in the Polarised Neutron Diffraction case . Moreover , the Patterson function is always centrosymmetric . The mathematics involved ...
Page 182
... 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 total structure factor ...
... 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 total structure factor ...
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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