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 |