MCGRtof: Monte Carlo G(r) with resolution corrections for time-of-flight neutron diffractometers

Matthew G. Tucker; Martin T. Dove; David A. Keen

doi:10.1107/S0021889801015345

MCGRtof: Monte Carlo G(r) with resolution corrections for time-of-flight neutron diffractometers

Matthew G. Tucker, Martin T. Dove, David A. Keen

Research output: Contribution to journal › Article › peer-review

15 Scopus citations

Abstract

A new implementation of the program MCGR [Pusztai & McGreevy (1997). Physica B, 234-236, 357-358] for the calculation of pair distribution functions from neutron total scattering data using an inverse Monte Carlo algorithm is presented. The new implementation, called MCGRtof, incorporates the resolution functions for time-of-flight neutron diffractometers, and is suitable for analysis of data from instruments such as GEM at the ISIS spallation neutron source. The effect of including resolution correctly is to increase the magnitude of the pair distribution function at larger distances. The working program is illustrated with total scattering measurements from crystalline AlPO₄.

Original language	English
Pages (from-to)	780-782
Number of pages	3
Journal	Journal of Applied Crystallography
Volume	34
Issue number	6
DOIs	https://doi.org/10.1107/S0021889801015345
State	Published - Dec 2001
Externally published	Yes

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title = "MCGRtof: Monte Carlo G(r) with resolution corrections for time-of-flight neutron diffractometers",

abstract = "A new implementation of the program MCGR [Pusztai & McGreevy (1997). Physica B, 234-236, 357-358] for the calculation of pair distribution functions from neutron total scattering data using an inverse Monte Carlo algorithm is presented. The new implementation, called MCGRtof, incorporates the resolution functions for time-of-flight neutron diffractometers, and is suitable for analysis of data from instruments such as GEM at the ISIS spallation neutron source. The effect of including resolution correctly is to increase the magnitude of the pair distribution function at larger distances. The working program is illustrated with total scattering measurements from crystalline AlPO4.",

author = "Tucker, {Matthew G.} and Dove, {Martin T.} and Keen, {David A.}",

year = "2001",

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AU - Tucker, Matthew G.

AU - Dove, Martin T.

AU - Keen, David A.

PY - 2001/12

Y1 - 2001/12

N2 - A new implementation of the program MCGR [Pusztai & McGreevy (1997). Physica B, 234-236, 357-358] for the calculation of pair distribution functions from neutron total scattering data using an inverse Monte Carlo algorithm is presented. The new implementation, called MCGRtof, incorporates the resolution functions for time-of-flight neutron diffractometers, and is suitable for analysis of data from instruments such as GEM at the ISIS spallation neutron source. The effect of including resolution correctly is to increase the magnitude of the pair distribution function at larger distances. The working program is illustrated with total scattering measurements from crystalline AlPO4.

AB - A new implementation of the program MCGR [Pusztai & McGreevy (1997). Physica B, 234-236, 357-358] for the calculation of pair distribution functions from neutron total scattering data using an inverse Monte Carlo algorithm is presented. The new implementation, called MCGRtof, incorporates the resolution functions for time-of-flight neutron diffractometers, and is suitable for analysis of data from instruments such as GEM at the ISIS spallation neutron source. The effect of including resolution correctly is to increase the magnitude of the pair distribution function at larger distances. The working program is illustrated with total scattering measurements from crystalline AlPO4.

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JO - Journal of Applied Crystallography

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ER -

MCGRtof: Monte Carlo G(r) with resolution corrections for time-of-flight neutron diffractometers

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