Tools for Nanoparticle Simulation and Calculation of PDF and Total Scattering Structure Function


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Documentation for package ‘nanop’ version 2.0-6

Help Pages

broadPDF Analytically broaden the PDF
calcPDF Functions to calculate the PDF
calcQDepPDF Functions to calculate the PDF
calcTotalScatt Functions to calculate the total scattering structure function
createAtom Describe fractional coordinates and scattering parameters of the basis atoms
displacePart Functions to simulate the atomic positions in a nanoparticle
gaussConvol Gauss convolution
getBase Fractional coordinates and scattering parameters for a given chemical element
getScatterFactor Fractional coordinates and scattering parameters for a given chemical element
getScatterLength Fractional coordinates and scattering parameters for a given chemical element
GrSAS Functions to calculate the gamma baseline term for PDF
GrSASCS Functions to calculate the gamma baseline term for PDF
IqSAS Functions to calculate the total scattering structure function
IqSASP Functions to calculate the total scattering structure function
PDFPar Function to calculate the RSS between the simulated PDF or the total scattering structure function and target data
plotPart Draws a three-dimensional scatterplot
rss Function to calculate the RSS between the simulated PDF or the total scattering structure function and target data
scatterFactor Fractional coordinates and scattering parameters for a given chemical element
simPart Functions to simulate the atomic positions in a nanoparticle
simPartPar Function to calculate the RSS between the simulated PDF or the total scattering structure function and target data
termRip Simulate termination ripples
TotalScattPar Function to calculate the RSS between the simulated PDF or the total scattering structure function and target data