gaussConvol: Gauss convolution

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

Description

Function to calculate the convolution of a given function with the Gaussian function

Usage

		   
gaussConvol(SQ, Q, Qdamp=0.0457, err=1e-6)

Arguments

SQ	numeric vector containing function to be convoluted.
Q	numeric vector containing grid points corresponding to SQ.
Qdamp	numeric indicating standard deviation parameter for the Gaussian function.
err	numeric, relative accuracy requested.

Value

numeric vector of function values.

See Also

calcTotalScatt

Examples

## simulate a particle 
Cu <- createAtom("Cu")
part <- simPart(atoms=list(Cu), atomsShell=list(Cu), r=20, 
    rcore=14, latticep=4.08, latticepShell=3.89)

## calculate total scattering function
gQ <- calcTotalScatt(part, type="neutron",  minQ=0.771, maxQ=18,
    dQ=0.01, scatterLength=c(4.87, 7.97), sigma=c(.01, .01))
plot(gQ$Q, gQ$gQ, type="l")
						  
## simulate instrumental resolution effect
Q <- gQ$Q
gQ <- gaussConvol(SQ=gQ$gQ, Q=gQ$Q, Qdamp=0.061, err=1e-5)
lines(Q, gQ, col=2)		   

Example output

DIM BASE 1 4 
DIM BASE 1 4 

nanop documentation built on May 2, 2019, 3:39 p.m.