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McXtrace - An X-ray ray-trace simulation package

ESRF; SAXSLAB Niels Bohr Institute DTU Physics

McXtrace

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McXtrace: SAXSNanodiscs Component

[ Identification | Description | Input parameters | Output parameters | Links ]

The SAXSNanodiscs Component

A sample of monodisperse phospholipid bilayer nanodiscs in solution (water).

Identification

  • Author: Martin Cramer Pedersen (mcpe@nbi.dk)
  • Origin: KU-Science
  • Date: May 2, 2012
  • Version: $Revision$

Description

A component simulating the scattering from a box-shaped, thin solution (water)
of monodisperse phospholipid bilayer nanodiscs.

WARNING: This is a contributed Component.

Input parameters

Parameters in boldface are required; the others are optional.
Name Unit Description Default
AxisRatio 1.4
NumberOfLipids 130.0
AreaPerLipidHeadgroup AA^2 Area per lipid headgroup - default is POPC. 65.0
HeightOfMSP AA Height of the belt protein - default is MSP1D1. 24.0
VolumeOfOneMSP AA^3 Volume of one belt protein - default is MSP1D1. 26296.5
VolumeOfHeadgroup AA^3 Volume of one lipid headgroup - default is POPC. 319.0
VolumeOfCH2Tail AA^3 Volume of the CH2-chains of one lipid - default is POPC. 818.8
VolumeOfCH3Tail AA^3 Volume of the CH3-tails of one lipid - default is POPC. 108.6
ScatteringLengthOfOneMSP cm Scattering length of one belt protein - default is MSP1D1. 3.34E-9
ScatteringLengthOfHeadgroup cm Scattering length of one lipid headgroup - default is POPC. 4.62E-11
ScatteringLengthOfCH2Tail cm Scattering length of the CH2-chains of one lipid - default is POPC. 6.71E-11
ScatteringLengthOfCH3Tail cm Scattering length of the CH3-tails of one lipid - default is POPC. 5.08E-12
Roughness 3.5
Concentration mM Concentration of sample. 0.01
AbsorptionCrosssection 1/m Absorption cross section of the sample. 0.0
xwidth m Dimension of component in the x-direction.  
yheight m Dimension of component in the y-direction.  
zdepth m Dimension of component in the z-direction.  
SampleToDetectorDistance m Distance from sample to detector (for focusing the scattered x-rays).  
DetectorRadius m Radius of the detector (for focusing the scattered x-rays).  

Output parameters

Name Unit Description Default
Absorption  
NumberDensity  
DeltaRhoHead  
DeltaRhoBelt  
DeltaRhoCH2Tail  
DeltaRhoCH3Tail  
MajorSemiAxis  
MinorSemiAxis  
ThicknessOfBelt  
HeightOfBelt  
HeightOfLipids  
HeightOfTails  
HeightOfCH3  

Links


[ Identification | Description | Input parameters | Output parameters | Links ]

Generated automatically by McDoc, Peter Willendrup <peter.willendrup@risoe.dk> / Tue Nov 26 12:17:24 2019


Last Modified: Tuesday, 26-Nov-2019 13:17:24 CET
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