Re: [Ifeffit] Trouble with fitting with Arthemis

2009-01-13 Thread Carlo Segre
I think you need to start with the shortest paths first and then work your way to the longer pt-Pt paths. It is likely that there is some Pt-Pt there but it is swamped by Pt-O and others as well. The first thing you need to figure out is if the peak at 1.1A is real or not. You might want t

Re: [Ifeffit] Trouble with fitting with Arthemis

2009-01-13 Thread Kleper Oliveira Rocha
Hi Carlo, You seem to be right. I try to do the fit in my notebook, which has the same Windows and Services Packs, and worked. I want to know why? Is it possible to resolve this? You right too assuming that there is an H2 adsorbed. In reality, this is a sample catalyst of 1%Pt supported in Al2O3 t

Re: [Ifeffit] Trouble with fitting with Arthemis

2009-01-13 Thread Carlo Segre
Hi Kleper: There is a single Pt-Pt path in your fit. This is effectively a fcc Pt distance of 2.77. I see several problems: This spectrum has distances which are much shorter than 2.77 and so I would expect that this single path would not be a very good fit. I am not sure if the peak aroun

Re: [Ifeffit] Trouble with fitting with Arthemis

2009-01-13 Thread Scott Calvin
Thanks. I looked at it, and everything works--there's no corrupted data; it's just having a hard time getting a decent fit. If you guess multiple parameters you'll see it does manage to find some kind of fit, but it's poor. Your data and background subtraction look acceptable, so that leave

Re: [Ifeffit] Trouble with fitting with Arthemis

2009-01-13 Thread Scott Calvin
OK, but the problem doesn't seem to be with the data; I'd guess it's with the path somehow. So you should save the Artemis project you used to generate the log file you sent us, and send that. (In other words, just follow the same steps you did before, but use Artemis to save the project.)

Re: [Ifeffit] Trouble with fitting with Arthemis

2009-01-13 Thread Kleper Oliveira Rocha
But Scott, this data was that I treat in Athena to begin the treatment in Arthemis. I donĀ“t have the Artemis project. 2009/1/13 Scott Calvin > That's an Athena project, Kleper. I think we need the Artemis project > (.apj file). Nothing wrong with the data itself, though, as far as I can > see.

Re: [Ifeffit] Trouble with fitting with Arthemis

2009-01-13 Thread Scott Calvin
That's an Athena project, Kleper. I think we need the Artemis project (.apj file). Nothing wrong with the data itself, though, as far as I can see. --Scott Calvin Sarah Lawrence College On Jan 13, 2009, at 5:31 PM, Kleper Oliveira Rocha wrote: Hi Bruce, I send to you the project. 2009/1/

Re: [Ifeffit] Trouble with fitting with Arthemis

2009-01-13 Thread Kleper Oliveira Rocha
Hi Bruce, I send to you the project. 2009/1/13 Bruce Ravel > > Hi Kleper, > > But your reduced chi-square is only 10^35. That seems like a pretty good > fit... ;-) > > There is obviously a numerical problem, corrupted data, corrupted project > file -- something like that. > > Can you send me t

Re: [Ifeffit] Trouble with fitting with Arthemis

2009-01-13 Thread Bruce Ravel
Hi Kleper, But your reduced chi-square is only 10^35. That seems like a pretty good fit... ;-) There is obviously a numerical problem, corrupted data, corrupted project file -- something like that. Can you send me the project file? B > Please, help me. When I try to do any fit in Arthemis,

Re: [Ifeffit] Trouble with fitting with Arthemis

2009-01-13 Thread Scott Calvin
Hi Kleper, It looks a little to me like you don't actually have any paths included in the fit, or perhaps the path is defective (all zeroed out, or something like that). If you attach the project file, it will probably be easy to tell. --Scott On Jan 13, 2009, at 5:13 PM, Kleper Oliveira R

[Ifeffit] Trouble with fitting with Arthemis

2009-01-13 Thread Kleper Oliveira Rocha
Hi all, Please, help me. When I try to do any fit in Arthemis, setting all parameters unless one, been this one any of the parameters, the fit gives for the answer -1. +/- 0.00 like example down. What is happening? Independent p