Description Usage Arguments Details Value References See Also Examples
Functions to calculate analytically the gamma baseline term given a particle lattice and size parameters.
1 2 3 4 5 |
r |
numeric vector that contains grid points at which baseline term should be evaluated. |
Rcore |
numeric which, if not |
Rpart |
numeric indicating the radius (radii) of the particle. |
latticep, latticepShell |
numeric vectors indicating the lattice parameter(s) for the core( shell); see |
N1, N2 |
numeric indicating number of atoms within the unit cell in the particle core (shell). |
sym, symShell |
characters describing the structure to be used in the particle core (shell) simulations; see |
Function GrSAS
can be used for both uniform and core/shell particles. In the second case the uniform model is applied with scattering length density averaged through the nanoparticle. Function GrSASCS
calculates baseline term for core/shell particles using model described in Glatter, 1979.
numeric vector of function values.
Glatter O. (1979): The interpretation of real-space information from small-angle scattering experiments. J. Appl. Cryst., 12, 166–175.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 | ## calculate baseline term for uniform particle
gammaR <- GrSAS(r=seq(0.01, 30, 0.01), Rpart=15,
latticep=c(4.3, 7.02), sym="hcp", N1=4)
plot(seq(0.01, 30, 0.01), gammaR, type="l")
## compare with baseline computed as Fourier transform
## of the total scattering function:
Zn <- createAtom("Zn")
S <- createAtom("S")
part <- simPart(atoms=list(Zn,S), r=15, latticep=c(4.3, 7.02),
sym="hcp")
gQSAS <- calcTotalScatt(part, type="neutron", minQ=0.001,
maxQ=0.9, dQ=0.005)
gammaR2 <- calcQDepPDF(part, minR=0.01, maxR=30, dr=0.01,
maxQ=.85, minQ=0.001, verbose=20,
preTotalScat=list(Q=gQSAS$Q, gQ=gQSAS$gQ))
lines(gammaR2$r, gammaR2$gr, col=2)
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