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 79
M. W. Johnson. Example 1 . PROCEDURE S PARAMETER Specno = INTEGER ! The procedure performs the function ! w1 = S ( N ) ! to load a time of flight spectrum . ! Example values ! selfile = " HET001345.RAW " ! specno = " 10 " ! Load TOF data ...
M. W. Johnson. Example 1 . PROCEDURE S PARAMETER Specno = INTEGER ! The procedure performs the function ! w1 = S ( N ) ! to load a time of flight spectrum . ! Example values ! selfile = " HET001345.RAW " ! specno = " 10 " ! Load TOF data ...
Page 80
... example here shows a simple GENIE - V3 procedure using the graphics primitives to produce a plot of a workspace . The plot produced is shown in Figure 5 . Example 4 . PROCEDURE Display PARAMETER Wout = WORKSPACE ! This procedure uses ...
... example here shows a simple GENIE - V3 procedure using the graphics primitives to produce a plot of a workspace . The plot produced is shown in Figure 5 . Example 4 . PROCEDURE Display PARAMETER Wout = WORKSPACE ! This procedure uses ...
Page 226
... example , the problem of having to choose a model to refine is quite common . It is usually dealt with by a laborious , and immensely time - consuming , process of trial - and - error . Can we do any better ? If we do not have a ( good ) ...
... example , the problem of having to choose a model to refine is quite common . It is usually dealt with by a laborious , and immensely time - consuming , process of trial - and - error . Can we do any better ? If we do not have a ( good ) ...
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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