Re: [Ifeffit] Constraining values in Artemis fit

2018-08-23 Thread Scott Calvin
Hi Andrew, I’d add to this that it’s important to think about what it is that you are trying to figure out. At least with the systems that I’ve worked with, it is rare for the answer to that being “I would like to know the coordination number for this path.” Instead, it’s usually something

Re: [Ifeffit] Constraining values in Artemis fit

2018-08-23 Thread Bruce Ravel
On 08/23/2018 10:55 AM, Thomas, Andrew (AGW) wrote: Hello, Does anyone have any suggestions for breaking the correlation between the coordination number and sigma^2? Specifically, is there a way to set a maximum or minimum value for parameters in a fit? Matt is, of course, correct when he

Re: [Ifeffit] Constraining values in Artemis fit

2018-08-23 Thread Matt Newville
Andrew, On Thu, Aug 23, 2018 at 10:03 AM Thomas, Andrew (AGW) wrote: > Hello, > > > Does anyone have any suggestions for breaking the correlation between the > coordination number and sigma^2? Specifically, is there a way to set a > maximum or minimum value for parameters in a fit? > Hmm,

[Ifeffit] Constraining values in Artemis fit

2018-08-23 Thread Thomas, Andrew (AGW)
Hello, Does anyone have any suggestions for breaking the correlation between the coordination number and sigma^2? Specifically, is there a way to set a maximum or minimum value for parameters in a fit? Andrew Thomas ___ Ifeffit mailing list