We have measured the x-ray diffractograms of amorphous oxide thin films. Now we are looking for a fast fourier transformation program to easily determine the radial distribution function G(r) of the amorphous material directly from the intensity (theta-2theta) measurements I(2theta) or from a given structure factor S(q) ?
Hello. There is also WSxM, a free software to download, current version 5, development 7. You can save your data with extension .dat and open it in WSxM. There some FFT in there you can also explore. Cheers.
can't you simply use the software available for PDF analysis? I'm far from being an expert there but PDFGETX3 does exactly what you need (perhaps more as you have to consider also unwanted scattering effects). In any case you would probably just need a DCT algorithm that can be even faster than the full FFT
if you look for free software then you may try numpy package for python.
Together with ipython - web based, mthematica-like environment for python, it makes a powerful tool for scientific computation:
http://ipython.org/
There are programs written for data reduction of PDF data like PDFgetX3 mentioned earlier. The reduction process is long and complicated including background and absorption corrections etc. so there is no easy code for it other than the program.
If you are looking for a fast FFT matlab code to get G(r) from S(Q), I can offer you one (see attachment). I wrote this code for my previous project to reduce neutron S(Q) data to G(r). I was also using PDFgetN which gave G(r) so my own code was merely used for confirmation. The code works as it matches with PDFgetN reduced G(r). Note that it is not on absolute scale. I have tried the built-in FFT function in matlab and I don't believe it works the way you wanted. The code is very simple and you should have no problem understanding it. All you need is a binary SQ data file and to designate maximum r and r spacing.
Thanks to all of you for helping us. If we have any problems with the programs, we will come back to you directly. Best regards, H.U.K
http://matlabgeeks.com/tips-tutorials/how-to-do-a-fourier-transform-in-matlab/
Could you be more specific in your problem? what is your major concerns? is it speed or resolution? are you going to compute the whole spectrum or just specific frequencies bin?
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