Re: [Ifeffit] about sigma2 for exafs fitting

2017-01-08 Thread Scott Calvin
Hi Shaofeng, Thanks for providing a thorough description of what you did in the Word file—it makes it much easier to comment! I wouldn’t say that sigma2 is not important, in this case. I would say, instead, that your fits have not yet successfully distinguished between the different proposed m

Re: [Ifeffit] Ifeffit Digest, Vol 167, Issue 11

2017-01-08 Thread Scott Calvin
Hi Raj, The kind of thing I gather you did for #1 is almost always a bad idea. Guessing parameters in one fit and then setting them to the results for that fit in subsequent fits without further justification is asserting a certainty about those parameters that you do not possess. Occasionally

Re: [Ifeffit] about sigma2 for exafs fitting

2017-01-08 Thread Shaofeng Wang
Dear Scott and demter users, I also tried to use BaHAsO4 crystallographic data as the initial model for fitting of the EXAFS data. Please see the attached file. It was found the sigma2 was around 0.0012-0.0014. The Hamilton tests also show the improvement was not significant (> >0.05). But thea