Re: [Ifeffit] Linear Combination Fit

2011-05-12 Thread Christoph Sahle
Dear Dr. Kelly, this was not my question in the first place, but I am still super interested in your book/book chapter on LC fitting. Would you send me a pdf-copy as well? Thanks so much, I am learning a lot through the ifeffit mailing list! Cheers Christoph Hi Saugata With appropriate

Re: [Ifeffit] Athena (linear combination fitting)

2011-05-12 Thread Bruce Ravel
On Thursday, May 12, 2011 03:09:12 am Dilnesa, Belay wrote: Dear Dr. Ravel, Thanks so much,for information you gave me. I subscribed already in the mailing list. I have a complex system to fit. I have a complex spectra from a hetrogenous sample and a number of reference samples. I am doing

Re: [Ifeffit] Question about transform windows and statistical parameters

2011-05-12 Thread Scott Calvin
Hi Brandon, Matt and Bruce both gave good, thorough answers to your questions this morning. Nevertheless, I'm going to chime in too, because there are some aspects of this issue I'd like to put emphasis on. On May 11, 2011, at 8:46 PM, Brandon Reese wrote: I tried your suggestion with

Re: [Ifeffit] Athena Artemis

2011-05-12 Thread George Sterbinsky
Also, for anyone who just wants to see the difference in the two data sets I've attached a figure. George On Thu, May 12, 2011 at 1:23 PM, George Sterbinsky georgesterbin...@u.northwestern.edu wrote: Hello, I've noticed an odd behavior in Athena and Artemis and I was hoping someone could

Re: [Ifeffit] Question about transform windows and statistical parameters

2011-05-12 Thread Brandon Reese
Thanks again for everyone's very informative and thorough replies, this mailing list is great! Bruce, I hope that I didn't convey that reduced chi-square (RCS) wasn't useful. I am constantly using it when figuring out how to appropriately model my data. My comment stemmed from what you said

Re: [Ifeffit] Athena Artemis

2011-05-12 Thread Scott Calvin
Hi George, I've confirmed the behavior you describe on a Mac running OS 10.5.8, Artemis 0.8.014, Ifeffit 1.2.12, and Athena 0.8.061. It does seem to be a bug or a corrupted file, but I can't figure out what it's actually doing. It's not grabbing the wrong data from the Athena

Re: [Ifeffit] more bugs in atoms?

2011-05-12 Thread George Sterbinsky
Hi Lisa, I'm not very familiar with PbSO4, so I'm not sure if I can help, but your email immediately brought some questions to mind. First, did you import the same information into atoms and the crystal structure program? The way you worded your message made me think that the crystal structure