## 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 78

The obvious omissions from this list are types like "Histogram" and "TOF

spectrum." The type "

physical entity called a

The obvious omissions from this list are types like "Histogram" and "TOF

spectrum." The type "

**Workspace**" also implies that GENIE- V3 is modelling somephysical entity called a

**workspace**which has not yet been mentioned. 5.2**Workspaces**In ...Page 79

Ll = Get:Data(selfile, "LI") Wtemp.L2 = Get:Daia(selfile, "L2") Wtemp.X_units =

TIME Wtemp. Y_units = COUNTS_BY_W ! Return Wtemp as spectrum Spectrum

= Wtemp ENDPROCEDURE Spectrum =

simplified ...

Ll = Get:Data(selfile, "LI") Wtemp.L2 = Get:Daia(selfile, "L2") Wtemp.X_units =

TIME Wtemp. Y_units = COUNTS_BY_W ! Return Wtemp as spectrum Spectrum

= Wtemp ENDPROCEDURE Spectrum =

**WORKSPACE**In this example asimplified ...

Page 80

V is continuation V=

result

lengths just in case IF Len(W JCV) = Len(V.XV) Wiemp.YV = (W.YV + V.YV) / Z0 ...

V is continuation V=

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

**workspace**! Calculate an average normalization spectrum ! check thelengths just in case IF Len(W JCV) = Len(V.XV) Wiemp.YV = (W.YV + V.YV) / Z0 ...

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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