Extracting differential pair distribution functions using MIXSCAT

Caroline Wurden; Katharine Page; Anna Llobet; Claire E. White; Thomas Proffen

doi:10.1107/S0021889810009155

Extracting differential pair distribution functions using MIXSCAT

Caroline Wurden, Katharine Page, Anna Llobet, Claire E. White, Thomas Proffen

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

9 Scopus citations

Abstract

Differently weighted experimental scattering data have been used to extract partial or differential structure factors or pair distribution functions in studying many materials. However, this is not done routinely partly because of the lack of user-friendly software. This paper presents MIXSCAT, a new member of the DISCUS program package. MIXSCAT allows one to combine neutron and X-ray pair distribution functions and extract their respective differential functions.

Original language	English
Pages (from-to)	635-638
Number of pages	4
Journal	Journal of Applied Crystallography
Volume	43
Issue number	3
DOIs	https://doi.org/10.1107/S0021889810009155
State	Published - 2010
Externally published	Yes

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title = "Extracting differential pair distribution functions using MIXSCAT",

abstract = "Differently weighted experimental scattering data have been used to extract partial or differential structure factors or pair distribution functions in studying many materials. However, this is not done routinely partly because of the lack of user-friendly software. This paper presents MIXSCAT, a new member of the DISCUS program package. MIXSCAT allows one to combine neutron and X-ray pair distribution functions and extract their respective differential functions.",

author = "Caroline Wurden and Katharine Page and Anna Llobet and White, {Claire E.} and Thomas Proffen",

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AU - Wurden, Caroline

AU - Page, Katharine

AU - Llobet, Anna

AU - White, Claire E.

AU - Proffen, Thomas

PY - 2010

Y1 - 2010

N2 - Differently weighted experimental scattering data have been used to extract partial or differential structure factors or pair distribution functions in studying many materials. However, this is not done routinely partly because of the lack of user-friendly software. This paper presents MIXSCAT, a new member of the DISCUS program package. MIXSCAT allows one to combine neutron and X-ray pair distribution functions and extract their respective differential functions.

AB - Differently weighted experimental scattering data have been used to extract partial or differential structure factors or pair distribution functions in studying many materials. However, this is not done routinely partly because of the lack of user-friendly software. This paper presents MIXSCAT, a new member of the DISCUS program package. MIXSCAT allows one to combine neutron and X-ray pair distribution functions and extract their respective differential functions.

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M3 - Article

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JO - Journal of Applied Crystallography

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Extracting differential pair distribution functions using MIXSCAT

Abstract

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