[Ifeffit] Column label issue

Vanamee, Eva eva.vanamee at mssm.edu
Fri Apr 20 12:10:55 CDT 2012


Hi Bruce,
Somehow my earlier email bounced. I did try Erik's suggestion and renamed the columns with shorter names.
It all works fine now after giving short Ch1, Ch2,... names for the columns.
I am onto ARTEMIS and new issues. more soon....

On Apr 20, 2012, at 1:00 PM, <ifeffit-request at millenia.cars.aps.anl.gov>
 wrote:

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> Today's Topics:
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>   1. Re: data processing - not all columns are visible (Bruce Ravel)
>   2. Path file does not exist (Yvonne Grunder)
>   3. Re: Path file does not exist (Bruce Ravel)
> 
> 
> ----------------------------------------------------------------------
> 
> Message: 1
> Date: Thu, 19 Apr 2012 17:51:49 -0400
> From: Bruce Ravel <bravel at bnl.gov>
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Subject: Re: [Ifeffit] data processing - not all columns are visible
> Message-ID: <201204191751.49649.bravel at bnl.gov>
> Content-Type: Text/Plain;  charset="iso-8859-1"
> 
> 
> Eva,
> 
> It's been a busy week -- sorry for the pokey response.
> 
> Erik is correct on all fronts -- the problem is the length of the line
> of column labels.
> 
> One rather irksome work-around I can suggest is to remove that line
> with a text editor.
> 
> The better work-around Erik alludes to is part of the newest version
> of my software.  However, I do not yet have a Mac installer for the
> new version.
> 
> B
> 
> 
> On Tuesday, April 17, 2012 10:20:30 pm Erik Farquhar wrote:
>> Hi Eva,
>> 
>> It is also a good idea to mention that you are using OS X (as you told me).
>> Are you using the iXAFS versions of Athena/Artemis? If so, which version
>> #?
>> 
>> To elaborate on Eva's e-mail, she collected data on NSLS X3B using a 31
>> element Ge detector. Datafiles are in the normal ASCII NSLS XDAC file
>> format, with the individual Ge channel labeled as long strings XIA01FeK
>> ... XIA31FeK. To date we've had no issues w/ these files using "classic
>> Horae Athena/Artemis" on Windows machines. With Demeter on Windows, I did
>> see the same problem as Eva, with the data file column selector dialog
>> only displaying the first 25 columns or so. Bruce came up with a
>> workaround at an early beta stage, so that long column name strings no
>> longer cause the column selector dialog to puke. As I recall from Bruce's
>> explanation, it had to do with IFEFFIT being unhappy with the long column
>> labels, although evidently something in the code for the older programs
>> overcame this limitation.
>> 
>> If I had to guess, the OS X versions of "classic" Athena/Artemis are
>> running into this issue with IFEFFIT disliking the long column labels. I
>> don't have an OS X machine to test this, hence Eva's appeal to the wider
>> IFEFFIT community.
>> 
>> Cheers,
>> Erik
>> 
>> --
>> Erik Farquhar
>> Case Center for Synchrotron Biosciences
>> Brookhaven National Lab
>> NSLS, Building 725A-X3
>> Upton, NY  11973
>> efarquhar at bnl.gov
>> +1-631-344-8174
>> 
>> ________________________________
>> From: Bruce Ravel <bravel at bnl.gov>
>> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
>> Sent: Tuesday, April 17, 2012 5:55 PM
>> Subject: Re: [Ifeffit] data processing - not all columns are visible
>> 
>> On Tuesday, April 17, 2012 04:53:08 pm Vanamee, Eva wrote:
>>> Greetings,
>>> 
>>> I am using Artemis to read my data from a 31 channel detector. Only 25 of
>>> them are shown in the column chooser. How can I make all columns show?
>> 
>> Eva,
>> 
>> Can we see an example data file?
>> 
>> B
> 
> -- 
> 
> Bruce Ravel  ------------------------------------ bravel at bnl.gov
> 
> National Institute of Standards and Technology
> Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2
> Building 535A
> Upton NY, 11973
> 
> My homepage:    http://xafs.org/BruceRavel
> EXAFS software: http://cars9.uchicago.edu/ifeffit/Demeter
> 
> 
> ------------------------------
> 
> Message: 2
> Date: Fri, 20 Apr 2012 12:59:48 +0100
> From: Yvonne Grunder <yvonne.grunder at manchester.ac.uk>
> To: ifeffit at millenia.cars.aps.anl.gov
> Subject: [Ifeffit] Path file does not exist
> Message-ID: <4F914FB4.5080604 at manchester.ac.uk>
> Content-Type: text/plain; charset=ISO-8859-1; format=flowed
> 
> Hallo,
> 
> I have currently a problem with Artemis to fit my data. First, I import 
> the paths from the Feff calculation and define my fitting parameters. 
> Then I can run the fit exactly one time. If I try to fit the data a 
> second time, I get the following error message:
> PATH:  Au  ( 9999   1    2.470  ----  @ Au     
> @                           2  2 single scattering)
>      The path file does not exist (perhaps the Feff
>      calculation was not run).
>  (and similar for all paths included...).
> 
> Did anybody encounter a similar problem (I already reinstalled Demeter)?
> 
> Best wishes,
> Yvonne
> 
> -- 
> Dr Yvonne Grunder
> Chemistry Building - 6.09
> School of Chemistry
> The University of Manchester
> Manchester
> M13 9PL
> Tel.: +44 (0)161 306 4568
> 
> 
> 
> ------------------------------
> 
> Message: 3
> Date: Fri, 20 Apr 2012 08:25:03 -0400
> From: Bruce Ravel <bravel at bnl.gov>
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Subject: Re: [Ifeffit] Path file does not exist
> Message-ID: <201204200825.04031.bravel at bnl.gov>
> Content-Type: Text/Plain;  charset="iso-8859-1"
> 
> 
> Yvonne,
> 
> This is the sort of thing I cannot comment on without being able to
> reproduce it on my own computer.  Can you send me the project file
> that demonstrates this problem?
> 
> B
> 
> 
> On Friday, April 20, 2012 07:59:48 am Yvonne Grunder wrote:
>> Hallo,
>> 
>> I have currently a problem with Artemis to fit my data. First, I import
>> the paths from the Feff calculation and define my fitting parameters.
>> Then I can run the fit exactly one time. If I try to fit the data a
>> second time, I get the following error message:
>> PATH:  Au  ( 9999   1    2.470  ----  @ Au
>> @                           2  2 single scattering)
>>      The path file does not exist (perhaps the Feff
>>      calculation was not run).
>>  (and similar for all paths included...).
>> 
>> Did anybody encounter a similar problem (I already reinstalled Demeter)?
>> 
>> Best wishes,
>> Yvonne
> 
> -- 
> 
> Bruce Ravel  ------------------------------------ bravel at bnl.gov
> 
> National Institute of Standards and Technology
> Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2
> Building 535A
> Upton NY, 11973
> 
> My homepage:    http://xafs.org/BruceRavel
> EXAFS software: http://cars9.uchicago.edu/ifeffit/Demeter
> 
> 
> ------------------------------
> 
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