## 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 127

This "formula manager" is the base of the MXD program. It gives a new approach

in the design of the control files, where the

formula dependence concept. Memory Tree Example MUL Formula : ( A + B)

This "formula manager" is the base of the MXD program. It gives a new approach

in the design of the control files, where the

**constraints**are replaced by theformula dependence concept. Memory Tree Example MUL Formula : ( A + B)

Page 173

This

matrix is poorly conditioned. 4. Different types of data, e.g. neutron and X-ray

diffraction, can be modelled. The different data sets can have different Q ranges,

...

This

**constraint**,improves' the separation of partials in cases where the separationmatrix is poorly conditioned. 4. Different types of data, e.g. neutron and X-ray

diffraction, can be modelled. The different data sets can have different Q ranges,

...

Page 219

CONSTRAINED MODEL FITTING In the examples presented so far we have

used model fitting with no

surface chemistry it is possible to impose

first ...

CONSTRAINED MODEL FITTING In the examples presented so far we have

used model fitting with no

**constraints**imposed. In the investigation of problems insurface chemistry it is possible to impose

**constraints**upon the model fitting. Thefirst ...

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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