Stoichiometry Fitter

[Zack Gainsforth]

Hello all,

I wrote a software called stoichometry fitter for doing quick analyses of spectra acquired by EDS (or XRF).
Originally, this was just for my own use but it has evolved to the point where I think it may be useful for some of you.  I have now made it open source and put it on GitHub for anyone who wants to use it or contribute to it.

As input it takes At%, Wt% or OxWt% values.

It has the ability to fit several phases, for example, if you have a pyroxene which you think is contaminated with a bit of FeS, you can fit against a pyroxene triangle + FeS, and it will give you the correct EnFsWo values after removing the appropriate amount of Fe for the FeS.  It also has a freeform analysis capability for a few minerals I use, and I'm hoping others will contribute their own analyses as well so we can all use them.  For example, if you tell it the spectrum is a pyroxene, then it will compute T, M1 and M2 sites for all the elements using the Morimoto 1988 reference.  If you are handy with python and numpy then you can create your own analyses with a minimum of four lines of code.

Finally, it has a TEM k-factor + thickness correction capability if you input each element as counts instead of the usual At%/Wt%/OxWt%.  This is very useful if you have a TEM, but it would also apply to some thin-film experiments in an SEM/EPMA.

I made a short overview video here:

https://berkeley.box.com/s/jxpfwh7gt8ixwfi7z6k1c67jslyd8c5r

And the project is here:

https://github.com/ZGainsforth/StoichiometryFitter

I hope this is helpful for some of you!

Cheers,

Zack