## 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

performs the function !wl = S(N) ! to load a time of flight spectrum. !

values ! selfile = "HET001345.RAW" ! specno = "10" ! Load TOF data into wtemp

from ...

**Example**1 . PROCEDURE S PARAMETER Specno = INTEGER I The procedureperforms the function !wl = S(N) ! to load a time of flight spectrum. !

**Example**values ! selfile = "HET001345.RAW" ! specno = "10" ! Load TOF data into wtemp

from ...

Page 80

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

Calculate an average normalization spectrum ! check the lengths just in case IF ...

**Example**3. 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 ...

Page 226

Despite our rather extreme

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 ...

Despite our rather extreme

**example**, the problem of having to choose a model torefine 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 ...

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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 distribution function elastic scattering energy error bars example experiment experimental Figure Fourier transform Gaussian GENIE GENIE-V3 histogram inelastic instrument intensity inverse ISIS least squares likelihood function magnetic structure magnetisation density 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 procedure quasielastic radial distribution functions 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 truncation UNIRAS unit cell vanadium vector wavelength workspace