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 34
... crystallographic problems has been rather limited so far . It was initiated , independantly from Kirkpatrick and Cerny's work , by russian scientists but remained apparently limited to a single feasibility test . More recently , SA has ...
... crystallographic problems has been rather limited so far . It was initiated , independantly from Kirkpatrick and Cerny's work , by russian scientists but remained apparently limited to a single feasibility test . More recently , SA has ...
Page 35
... crystallographic analog of the placement problem mentioned above . The goal of this search problem ( often encountered in protein crystallography ) is to " place a rigid molecular structure in an electron density map in the most ...
... crystallographic analog of the placement problem mentioned above . The goal of this search problem ( often encountered in protein crystallography ) is to " place a rigid molecular structure in an electron density map in the most ...
Page 94
... crystallographic data on to the one dimension of a powder pattern can be a severe problem particularly with high ... Crystallography is rooted in the mathematics of the Fourier transform . The structure factor , F ( h ) ( in general a ...
... crystallographic data on to the one dimension of a powder pattern can be a severe problem particularly with high ... Crystallography is rooted in the mathematics of the Fourier transform . The structure factor , F ( h ) ( in general a ...
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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