Re: [Ifeffit] fitting of S XANES with arctans and gaussians

2016-07-19 Thread Matt Newville
On Tue, Jul 19, 2016 at 6:38 AM, Jon Wade wrote: > > I can’t recommend LMFIT in python enough (or Larch - never used it mind, > but see no reason why I haven’t). > > Its well documented, easy to use and, best of all, its FREE! :) > > > https://lmfit.github.io/lmfit-py/builtin_models.html#built

Re: [Ifeffit] fitting of S XANES with arctans and gaussians

2016-07-19 Thread Jon Wade
I can’t recommend LMFIT in python enough (or Larch - never used it mind, but see no reason why I haven’t). Its well documented, easy to use and, best of all, its FREE! :) https://lmfit.github.io/lmfit-py/builtin_models.html#builtin-models-chapter https://lmfit.github.io/lmfit-py/builtin_mode

Re: [Ifeffit] fitting of S XANES with arctans and gaussians

2016-07-19 Thread Robert Gordon
Hi Matthew, WinXAS, (Commercial program by Thorsten Ressler) does possess the capabilities you are seeking but it costs E$200 for an academic/gov't license. -R. On 7/19/2016 5:21 AM, Bruce Ravel wrote: On 07/18/2016 11:10 PM, Matthew Marcus wrote: I'm trying to fit 37 micro-XANES spectra ta

Re: [Ifeffit] fitting of S XANES with arctans and gaussians

2016-07-19 Thread Bruce Ravel
On 07/18/2016 11:10 PM, Matthew Marcus wrote: I'm trying to fit 37 micro-XANES spectra taken at the S K-edge, using the method discussed in the paper by Manceau and Nagy "Quantitative analysis of sulfur functional groups in natural organic matter by XANES spectroscopy", Geochimica et Cosmochimica

[Ifeffit] fitting of S XANES with arctans and gaussians

2016-07-18 Thread Matthew Marcus
I'm trying to fit 37 micro-XANES spectra taken at the S K-edge, using the method discussed in the paper by Manceau and Nagy "Quantitative analysis of sulfur functional groups in natural organic matter by XANES spectroscopy", Geochimica et Cosmochimica Acta 99 (2012) 206–223. In this paper, the