Re: [Ifeffit] IFEFFIT update (windows7)

2010-08-19 Thread Matthew Newville
Can you create ana delete a file in C:\Proagram Files\Ifeffit ? How about removing or overwriting an existing file? nbsp; These are the things unzip will need to do, with your permissions. In reporting such problems, please be specific about what you did and what does happen, including error

Re: [Ifeffit] updating ifeffit manually

2010-08-19 Thread Matthew Newville
Hi Aranwela, Thanks, that's a very helpul description of how to install the zip files. nbsp;I'd like to understand why it doesn't work for some accounts and privilegenbsp;levels, as the problem will surely happen for someonenbsp;else... Any Windows gurus who understand this? --MattOn Aug 19,

Re: [Ifeffit] Issues with larch built-in shape functions for fitting

2016-11-19 Thread Matthew Newville
Hi Sean, On Fri, Nov 18, 2016 at 6:09 PM, Sean Fackler wrote: > Dear Matt, > > I’ve been fitting with Larch and found a few issues with some of the > functions from code based on the example: examples/fitting/doc_example2a.lar. > It’s for fitting two gaussians and an error

Re: [Ifeffit] trouble installing deter on a mac

2016-11-02 Thread Matthew Newville
Hi Justin, Hmm, I'm not sure. Are you certain that all of Macports actually installed correctly. Can you give a more complete set of commands and any error messages? On Nov 2, 2016 3:02 PM, "justin park" wrote: > Hello, > > I have followed the steps to install

Re: [Ifeffit] port for demeter failure

2016-11-03 Thread Matthew Newville
Hi Jason, On Nov 2, 2016 6:28 PM, "justin park" wrote: > Hello, > > I have followed the steps to install macports on my mac and it seems to be > working. However when I went to port in demeter it start and fails rather > quickly giving this error message. > > Error:

Re: [Ifeffit] data table for larch data group

2017-12-22 Thread Matthew Newville
Hi Bruce, At the moment, No. But that should be easy and a very good idea to separate reading headers plus the data table from naming of the 1d arrays... Like, I often run into cases where I want to rename arrays after reading the file. I'll work on that. I'd also like to be able to sensibly

Re: [Ifeffit] Problem building latest demeter on Debian 32bit Stretch

2018-03-30 Thread Matthew Newville
Hi Al, Bruce, Is there a need to run analysis codes running 32-bit Linux? I haven't seen one of those in a long time, and don't plan on testing or supporting any codes on that platform. I'm not even excited about supporting 32-bit Windows. --Matt ___

Re: [Ifeffit] Running FEFF 8 in Artemis

2019-09-13 Thread Matthew Newville
On Fri, Sep 13, 2019, 11:58 AM Farideh Jalilehvand wrote: > Hi everyone, > > I am trying to do EXAFS data analysis using Artemis and FEFF 8. > > To do so, I have followed these steps: > >1. Changed FEFF executable file path >2. Changed Process from Demeter to FEFF8 > > > > FEFF 8.10

[Ifeffit] Larch 0.9.56

2021-10-20 Thread Matthew Newville
Hi Folks, Larch version 0.9.56 is now available on PyPI ( https://pypi.org/project/xraylarch) and should now be installed by default using most installation mechanisms. This really represents a collection of small improvements and bug fixes but includes one emergency bug fix that many people

Re: [Ifeffit] Larch 0.9.56

2021-10-21 Thread Matthew Newville
install and the other updates worked well > > best regards > > Stefan > > > Am 20.10.2021 um 20:22 schrieb Matthew Newville : > > Hi Folks, > > Larch version 0.9.56 is now available on PyPI ( > https://pypi.org/project/xraylarch) and should now be installed by >

Re: [Ifeffit] Ifeffit Digest, Vol 224, Issue 12

2021-10-24 Thread Matthew Newville
Hi Lisa, On Fri, Oct 22, 2021 at 8:03 PM Lisa Langlois wrote: > XAS Library? > > Dear Bruce. > I was wondering how the XAS library is coming along. I have not seen too > much update on that in Hephaestus. > Best wishes, > Lisa > > This is not exactly an answer about the XAS data available with

Re: [Ifeffit] [IFEFFIT] Polarized FEFF calculation

2024-02-19 Thread Matthew Newville
Hi Soyoung, I would not place too much importance to the value of the "Importance" factor ;)That is, it is a quick estimate of the importance of a Path so that it might be filtered out.As you'll notice, the first path always has an Importance factor of 100, making comparisons between

Re: [Ifeffit] Larix.desktop on Arch Linux AttributeError: 'list' object has no attribute 'shape'

2024-02-19 Thread Matthew Newville
Hi Cristian, You tell us you are using a particular Linux distribution. I doubt this matters – if you got as far as Larix running, then the OS-specific or distribution-specific challenges are almost all solved. But then you also say that you are opening a ".xlsx" data file. Are you really

[Ifeffit] Larch 0.9.75

2024-03-22 Thread Matthew Newville
Hi Folks, Larch 0.9.75 has been released and is now available. You may see a prompt to install this the next time you launch the Larix GUI. It's been several months since the last release of Larch, and there have been many updates, especially for the Larix GUI, and for using Larch for XAS

Re: [Ifeffit] Imidazole multiple scattering in Artemis

2024-04-02 Thread Matthew Newville
Hi Chris, Using the single-scattering and multiple-scattering paths that have the same scattering atoms is not double counting. In general, including all the paths from a Feff calculation is what you ought to do to account for all of the EXAFS. But many paths will have weak contributions, and

Re: [Ifeffit] Difficulty with normalization of XAS spectra

2024-04-14 Thread Matthew Newville
Hi Jesse, Sorry for the trouble. I see the same behavior with your data. What is happening is that the first data point for the "mu_fluo_det0" array (and the "fluo_det0" array, and a few other arrays too) is NaN. That looks to be the case for most, if not every scan in this file. That is

Re: [Ifeffit] Choice of E0 in the presence of a huge pre-peak

2024-05-14 Thread Matthew Newville
Hi Jan, Yes, it can be confusing to select the E0 value for spectra like this. The complication is that we basically use E0 for two purposes: for XANES and normalization, we use it as the energy where absorption starts. In this case, the first derivative at the Cu1+ position is perfectly

Re: [Ifeffit] Origin of noise in Ag K-Edge

2024-04-29 Thread Matthew Newville
Sebastian, What is happening “in situ”? Are you heating the sample, flowing gas, or changing some other external conditions? The cleaner spectra are also those with larger oscillations, implying a more uniform local environment. That might suggest that the less clean spectra are from samples

Re: [Ifeffit] Request for Assistance with Data Import Error of Athena 0.9.26

2024-05-19 Thread Matthew Newville
Hi Rui, It seems that you probably attached the Apple resource file "_2.1 CH4_006_001.dat" (note the leading underscore). That won't have the data in it -- it's meant to be a File System resource file. There probably is (or should be) also a file named "2.1 CH4_006_001.dat" (without the

Re: [Ifeffit] Issue about plotting simulated EXAFS in Larix

2024-05-23 Thread Matthew Newville
Hi Aowen, Sorry for the trouble. I think you are seeing a “known but not-yet solved” problem. The Feffit Panel in Larix needs to have an experimental data set to show a simulated EXAFS spectrum. That should not be necessary, but it is for now to work around this bug. This is on the list