Hi Yordy:
I'm sorry. The xdp module is one that was written here by my group to
provide I/O for data files produced at our beamline. I have packaged it
for Debian but it is not out there for the general public yet. In the
program I sent you the xdp module is only used to write out the converted
data is a file format that we call SFF (Simple File Format).
The xdp module is not necessary if you simply write out the converted data
with a more normal set of commands.
Your email got me thinking though that I should finish the progrram and
make it useful to others. What I did, therefore, is to rewrite the
program without the use of xdp and making it a bit more user-friendly.
It now also handles both of the filetypes that Matt mentioned on a
previous post, and which are documented at
http://cars9.uchicago.edu/ifeffit/FAQ/Data_Handling#head-e7e2389af58d378379f3bbe2a827c73a6df2a42e
The program now runs fine under Python 2.5 (I don't know about 2.6 but let
me know if it has problems!). It is used as a standard *nix filter, that
is, rename it to lytle_convert (or make a link to it) and make sure it
is executable and in the executing PATH so the system can find it.
The program is invoked from the command line as
$lytle_convert file0 [file1 file2 file3 ... fileN]
It does take wildcards so you can process a bunch of files at once. Since
all the Lytle database files are of the form name.ext, the output file
name is made to be name_ext.sff.
The program does its best to guess the steps per degree for the olert file
type which does not include that information in the header. The d-spacing
is assumed to be 1.92017. This may not work for all files (I have not
checked and I didn't have time to put in more intelligence right now) so
you might need to go in to modify the program to change these defaults. I
am thinking that I will add options to let the d-spacing and steps per
degree be set on the command line but that will have to wait for later.
Enjoy!
Carlo
On Sat, 31 Jan 2009, Yordy Licea Fonseca wrote:
Hi Carlo,
I´ve installed Python 2.6 for Windows XP to run your code. Latter I've
installed a numpy 1.2.1 compiled for 2.6. I did neither find the
*Numeric *module
nor the *xdp* module you initialized first in the code. So I've intalled Py
2.4 version and again numpy, but didn not work.
In 2.6 there is a *math* module that works similar to *Numeric*. As I did
not find what *Numeric.zeros* does in line 32 I could not implement (if it
were possible) with *math.*
Could I use *xdrlib* module instead of *xdp?*
**
Would you send me or tell me please where to find those modules and which
Python you recommend me to install?
Best wishes, Yordy
2009/1/29 Carlo Segre se...@iit.edu
Ah, just premature sending...
Carlo
On Thu, 29 Jan 2009, Yordy Licea Fonseca wrote:
Hi Carlo and Matt,
Thank you very much for your help.
Best wishes,
Yordy
On 29/01/2009, ifeffit-requ...@millenia.cars.aps.anl.gov
ifeffit-requ...@millenia.cars.aps.anl.gov wrote:
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Today's Topics:
1. Trouble with fitting with Artemis (Juraci A. Sampaio)
2. Re: Trouble with fitting with Artemis (Richard Mayes)
3. about Farrel Lytle data of Na2WO4.2H2O (Yordy Licea Fonseca)
4. Re: about Farrel Lytle data of Na2WO4.2H2O (Matt Newville)
5. uncertainty in linear combination analysis (Pushan Shah)
6. Artemis parameters (abhijeet gaur)
7. Energy shift (Eugenio Otal)
--
Message: 1
Date: Wed, 28 Jan 2009 15:34:55 -0300
From: Juraci A. Sampaio jasamp...@hotmail.com
Subject: [Ifeffit] Trouble with fitting with Artemis
To: ifeffit@millenia.cars.aps.anl.gov
Message-ID: col107-w60310e438349ce1c72988aac...@phx.gbl
Content-Type: text/plain; charset=iso-8859-1
Hi there!I'm getting the following message when I try to fit my
data:WARNING. The following variables had no effect on the fit: !!
amp !!
enot !!
delr !! ss The
data
that I am trying to fit is the Cu metal example that come with the
iffefit
package. I am running Artemis on a Mac, OSX 10.4.11.I could run the
fitting
on a mac OSX 10.5 and it worked fine. I reinstall the IXAFS package but
it
didn't work.I am wondering what could be wrong with my
machine/software?Thanks a lot.Juraci Sampaio
