Re: [Ifeffit] about Farrel Lytle data of Na2WO4.2H2O

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-e7e2389af58d378379f... 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

...

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-request@millenia.cars.aps.anl.gov < ifeffit-request@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)

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Message: 1 Date: Wed, 28 Jan 2009 15:34:55 -0300 From: "Juraci A. Sampaio" Subject: [Ifeffit] Trouble with fitting with Artemis To: Message-ID: 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 _________________________________________________________________ Confira v?deos com not?cias do NY Times, gols direto do Lance, videocassetadas e muito mais no MSN Video! http://video.msn.com/?mkt=pt-br