QENS fit functions - jump diffusion


#pragma rtGlobals=1		// Use modern global access method.
//Jobic, H. & Theodorou, D.
//"Quasi-elastic neutron scattering and molecular dynamics simulation
// as complementary techniques for studying diffusion in zeolites",
// Microporous and Mesoporous Materials, 2007, 102, 21-50

//note that we are fitting FWHM, NOT HWHM, so there are factors of two difference.
Function chudleyelliot(w, y, x):fitfunc
	wave w, y, x
	//eqn 51
	//w[0] = tau
	//w[1] = d

	y = sin(x * w[1]) / (x * w[1])
	y = 1 - y
	y /= w[0] / 2
End

Function hallross(w, y, x):fitfunc
	wave w, y, x
	//eqn 53
	//w[0] = tau
	//w[1] = <r^2>

	y = exp(-1 * x^2 * w[1] / 6)
	y = 1 - y
	y /= w[0] / 2
End

Function singwisjolander(w, y, x):fitfunc
	wave w, y, x
	//eqn 55
	//w[0] = tau
	//w[1] = <r^2>

	y = x^2 * w[1]
	y /= 1 + x^2 * w[1] / 6
	y /= w[0] * 6 / 2
End

Forum

Support

Gallery

Igor Pro 10

Learn More

Igor XOP Toolkit

Learn More

Igor NIDAQ Tools MX

Learn More