Improved accuracy and phasing of lamellar neutron diffraction data by real-time swelling series method

Jeremy P. Bradshaw; Malcolm J.M. Darkes; Sarah M.A. Davies

doi:10.1016/S0921-4526(97)00807-7

Improved accuracy and phasing of lamellar neutron diffraction data by real-time swelling series method

Jeremy P. Bradshaw, Malcolm J.M. Darkes, Sarah M.A. Davies

University of Edinburgh

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

3 Citations (SciVal)

Abstract

The analytic continuation method has been widely used to phase Bragg reflections from lamellar samples of phospholipids. Here we describe its application to neutron diffraction data, collected from liquid-crystalline (L_α phase) samples of 1,2-dioleoyl-sn-glycero-phosphocholine (DOPC) under a state of shifting lamellar spacing. To provide a comparison with the more normal neutron approach of isotopic substitution using ²H₂O, data were collected from similar samples, using the same experimental and optical conditions. We compare the two methods in terms of accuracy of structure factor determination, unambiguity of phase assignment and ease of use.

Original language	English
Pages (from-to)	1115-1121
Number of pages	7
Journal	Physica B: Condensed Matter
Volume	241-243
DOIs	https://doi.org/10.1016/S0921-4526(97)00807-7
Publication status	Published - 1 Jan 1997

Funding

We thank Dr. Valentin Gordelii of the Institut Laue Langevin for expert assistance with the data collection. This work was supported by the Institut Laue Langevin, Grenoble, France.

Keywords

Neutron diffraction
Phase assignment
Phospholipid

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Electrical and Electronic Engineering

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10.1016/S0921-4526(97)00807-7

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abstract = "The analytic continuation method has been widely used to phase Bragg reflections from lamellar samples of phospholipids. Here we describe its application to neutron diffraction data, collected from liquid-crystalline (Lα phase) samples of 1,2-dioleoyl-sn-glycero-phosphocholine (DOPC) under a state of shifting lamellar spacing. To provide a comparison with the more normal neutron approach of isotopic substitution using 2H2O, data were collected from similar samples, using the same experimental and optical conditions. We compare the two methods in terms of accuracy of structure factor determination, unambiguity of phase assignment and ease of use.",

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AU - Bradshaw, Jeremy P.

AU - Darkes, Malcolm J.M.

AU - Davies, Sarah M.A.

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Y1 - 1997/1/1

N2 - The analytic continuation method has been widely used to phase Bragg reflections from lamellar samples of phospholipids. Here we describe its application to neutron diffraction data, collected from liquid-crystalline (Lα phase) samples of 1,2-dioleoyl-sn-glycero-phosphocholine (DOPC) under a state of shifting lamellar spacing. To provide a comparison with the more normal neutron approach of isotopic substitution using 2H2O, data were collected from similar samples, using the same experimental and optical conditions. We compare the two methods in terms of accuracy of structure factor determination, unambiguity of phase assignment and ease of use.

AB - The analytic continuation method has been widely used to phase Bragg reflections from lamellar samples of phospholipids. Here we describe its application to neutron diffraction data, collected from liquid-crystalline (Lα phase) samples of 1,2-dioleoyl-sn-glycero-phosphocholine (DOPC) under a state of shifting lamellar spacing. To provide a comparison with the more normal neutron approach of isotopic substitution using 2H2O, data were collected from similar samples, using the same experimental and optical conditions. We compare the two methods in terms of accuracy of structure factor determination, unambiguity of phase assignment and ease of use.

KW - Neutron diffraction

KW - Phase assignment

KW - Phospholipid

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JO - Physica B: Condensed Matter

JF - Physica B: Condensed Matter

ER -

Improved accuracy and phasing of lamellar neutron diffraction data by real-time swelling series method

Abstract

Funding

Keywords

ASJC Scopus subject areas

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