Re: GSAS data format

Larry W. Finger ( (no email) )
Mon, 19 Jan 1998 12:37:56 -0500

At 04:37 PM 1/16/98 -0500, you wrote:
> Dear Rietvelders
> Happy new year. I want to use a XRD data whose step size
> isn't constant (say, it changes randomly, 10.02, 10.04, 10.07,
> 10.12....). Is there any method to use this data file in GSAS.
> If not, is there any reasonable interpolation method for this
> XRD data?
> Thanks in advance.
> Sang-Heon Shim

I have converted non-uniform step data by rebinning. I use a spline
function to fit the data locally, then interpolate at the desired values of
2theta. Getting the standard deviations of the counts can be a problem, but
the rest is not too complicated. Numerical Recipes lists suitable spline
routines.

Larry Finger

--Larry W. Finger                     finger@gl.ciw.eduGeophysical Laboratory              Phone: +1 (202) 686-2410 X 24645251 Broad Branch Road N.W.         FAX:   +1 (202) 686-2419Washington, DC 20015-1305, USA         http://granite.ciw.edu/~finger/  http://btgix8.bgi.uni-bayreuth.de/~lafi