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

2011-05-13 Thread Matt Newville
Scott, On Thu, May 12, 2011 at 10:51 AM, Scott Calvin dr.scott.cal...@gmail.com wrote: 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.

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

2011-05-13 Thread Scott Calvin
Matt,On May 13, 2011, at 8:39 AM, Matt Newville wrote:After all, the epsilon shouldbe different for differentk-ranges, as your signal to noise ratio probably changes as a function of k.Using the same epsilon doesn't reflect that.Without seeing the data in question, this seems like speculation

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

2011-05-13 Thread Matt Newville
Hi Scott, Sorry, I read epsilon as noise in chi(k). This is the most meaningful physical/statistical measure: epsilon_r surely depends on k-weight and can depend on k-range as it samples different portions of the spectra. Like you say, it will tend to increase as you increase the k-range. On

Re: [Ifeffit] more bugs in atoms?

2011-05-13 Thread Gudrun Lisa Bovenkamp
Hi George, thanks for responding. I sure imported the same structural information into atoms and the crystal structure program. Lisa 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