Note: Part one of this three- or four-part series can be found here. Additionally, my topical review paper on SAXS data collection and correction which also lightly discusses data fitting is available open access here. After the initial “scoping out” of a collected scattering pattern, it is time to try to see what can be done in terms of fitting in step 2. Here, we are trying to see if parts of the scattering pattern might be described by some basic scattering functions.
By the way, my topical review paper on SAXS data collection and correction has been published and is available open access here! Recently, some good colleagues (who are not familiar with scattering) have started asking questions on how to go about fitting a scattering pattern. This was a very good opportunity to think about the process from a layman perspective. How do we get from scattering pattern to morphological information in a straightforward way?
As promised, some more details which hopefully make the monte-carlo code (discussed here) more useful to you; the software documentation. softwaremanual_mcfit In the documentation are also some examples using the scattering pattern generators discussed before. Let me know if you canor cannot get it to work and post your findings here (or father, on the software page)!
Hi all, I have made some new software available on the “software” page. This is the saxsfit (yes, terrible name, I know) routine I normally use for fitting SAXS curves to model functions. Nothing special, except that it can also deal with (time)series quite nicely. Also there is documentation for some of the packages. I hope to have the documentation complete for all packages in the future, but for now is still a work-in-progress. Next time, a Monte-Carlo fitting routine, which should come complete with introductory Youtube movie! Cheers! B.