[Ifeffit] SA and issue with importing into Artemis

Richard Mayes mayes at ion.chem.utk.edu
Fri Nov 9 11:34:01 CST 2007


DO'OH!

Thanks Anatoly!  I must be blind.  I totally missed that.

-Richard


> Richard,
>
> I tried with Athena v50 and Artemis v007 and it worked (the data were
> ported correctly). I do not think it is version dependent.
>
> The data that you save in Athena are ported to Artemis with 0
> k-weighting, so you have to manually set your k-weighting in artemis if
> you want to match the same k-weighting that you liked in athena. As you
> know, there is k-weighting for FT and k-weigthting for plotting data in
> k-space, which have nothing to do with each other.
>
> Note that the vertical axis in the bottom figure of your PDF file has
> unit of A^-3 which means it was indeed k2-weighting in FT in Artemis.
> You just have to make it k3 weighting in FT and it will give you the
> same plot as the top figure (and the unit will be A^-4).
>
> Anatoly
>
> -----Original Message-----
> From: ifeffit-bounces at millenia.cars.aps.anl.gov
> [mailto:ifeffit-bounces at millenia.cars.aps.anl.gov] On Behalf Of Richard
> Mayes
> Sent: Friday, November 09, 2007 12:13 PM
> To: ifeffit at millenia.cars.aps.anl.gov
> Subject: Re: [Ifeffit] SA and issue with importing into Artemis
>
>
>
> Oops!  Forgot the attachments.  Sorry about that.
>
> I should also add, the file I'm trying to import into Artemis is
> "k_3.191_13.860".
>
> -Richard
>
>
>> Everyone, thanks for the info on self absorption!  I'm currently
> working
>> on writing a short summary for our group based on the information
> everyone
>> shared.
>>
>> Bruce, I'm having an issue importing a k3-weighted project into
> Artemis
>> from Athena.  (I looked on the mail list and your webpage for a bug
> report
>> and couldn't find one, my apologies if I missed it.)
>>
>> The problem:  I'm trying to import a k3-weighted spectrum into
> Artemis,
>> but it appears to be importing the k2-weighted spectrum instead.  I
> don't
>> know if this is related or a change between versions of Artemis, but
> the
>> k-weight used in Athena isn't being carried over into Artemis as the
> fit
>> k-weight as well.  Attached is the Athena and Artemis projects showing
>> this and a pdf with pics of the 2 spectra I'm seeing (in case this is
> an
>> issue only on my computer).  I tried changing the group name and
> deleting
>> all the groups in Athena except the one I wanted and this still
> occurs.
>>
>> Any ideas on how to get around this?
>>
>> FYI:  I'm running Athena (0.8.054) and Artemis (0.8.011) on a laptop
> (1.7
>> GHz Pentium M processor & 2 GB RAM) with Windows XP Pro.
>>
>> Thanks!!
>> -Richard
>>
>> --
>> Richard Mayes
>>
>> Barnes Group
>> 450/452 Buehler Hall
>> Department of Chemistry
>> University of Tennessee
>> Knoxville, TN 37996
>>
>
>
> --
> Richard Mayes
>
> Barnes Group
> 450/452 Buehler Hall
> Department of Chemistry
> University of Tennessee
> Knoxville, TN 37996
>
>
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> Ifeffit at millenia.cars.aps.anl.gov
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>


-- 
Richard Mayes

Barnes Group
450/452 Buehler Hall
Department of Chemistry
University of Tennessee
Knoxville, TN 37996




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