[Ifeffit] Peak fitting analysis

2011-07-29 Thread Abhijeet Gaur
Hi all, I am doing XAFS analysis of some Cu(II) samples. As well known Cu(II) samples shows a pre-edge feature at around 8976 eV, characterstic of Cu(II) spectra. I am trying to perform peak fitting analysis of this pre-edge feature to determine its intensity as it is related to t

Re: [Ifeffit] FEFF6L.02 - missing path?

2011-07-29 Thread Pawel Zajdel
Matt, Thanks for the explanation. In this case, next two questions. 1. Is there a way to say it was rejected other than re-running feff with CRITERIA 0 0? I expected it to show in Feff.run file with "neglected" flag. My "default" Feff.run file says " Curved wave chi amplitude ratio 4.00%

Re: [Ifeffit] problems in installing PGPLOT in UBUNTU

2011-07-29 Thread Matt Newville
Hi Enyuan, I'm sure you read the message that you posted: > = Please consult the PGPLOT installation instructions > = in the subdirectory pgplot/, and the log file: > =/home/enyuan/ifeffit-1.2.11d/PGPLOT_install.log > = which contains a full list of commands run. > = > = You may want t

Re: [Ifeffit] FEFF6L.02 - missing path?

2011-07-29 Thread Matt Newville
Hi Pawel, On Fri, Jul 29, 2011 at 7:13 AM, Pawel Zajdel wrote: > Matt, > > Thanks for the explanation. > In this case, next two questions. > > 1. Is there a way to say it was rejected other than re-running feff with > CRITERIA 0 0? I expected it to show in Feff.run file with "neglected" flag. > M

Re: [Ifeffit] problems in installing PGPLOT in UBUNTU

2011-07-29 Thread Enyuan Hu
Dear Matt, I checked the log file but didn't see any error message. I don't know if it's because I succeeded in installing Athena and Artemis following Carlo's suggestion and the log file is thereby updated. Here's the content of the log file: "#!/bin/sh # PGPLOT install log # system = linux ==

Re: [Ifeffit] problems in installing PGPLOT in UBUNTU

2011-07-29 Thread Carlo Segre
Hi Enyuan On Sat, 30 Jul 2011, Enyuan Hu wrote: I checked the log file but didn't see any error message. I don't know if it's because I succeeded in installing Athena and Artemis following Carlo's suggestion and the log file is thereby updated. Here's the content of the log file: If you ins

[Ifeffit] FEFF6L.02 - missing path?

2011-07-29 Thread Pawel Zajdel
Hi Matt, OK, I got the point and it is clear now. Thanks Pawel As you've probably read in the Feff documentation, Feff has a couple of filters that it uses: one fast and less accurate to eliminate really unimportant scattering paths to make the path-finding mechanism more efficient, and one s