[Ifeffit] "Save marked groups as..." command

[Matt Newville]

Hi Danilo,

On Wed, Jan 22, 2014 at 9:40 AM, Danilo Oliveira de Souza
<danilo.olsouza at gmail.com> wrote:
> Dear list,
>
> I have a big collection of data from a catalytic reaction.
> I tried to export all the spectra (about 200) to a unique file containing
> the normalized ones. I used the "File>Save marked groups as>norm(E)" option.
> Unfortunately, Athena (Demeter 0.9.18) is not able to make one unique file
> (it crashes and I have to initialize it again), instead I had to creat 4
> different files of 45 spectra each (the maximum group I could gather on a
> file). Is there any bug on it or some kind of limitation to creat these kind
> of files?
>
> Best regards,
>
>
> Danilo OLIVEIRA DE SOUZA (PhD)
> Université de Sciences et Technologies de Lille (Université Lille 1)
> UCCS - Unité de Catalise et Chimie du Solid, Bat. C3, 110.
> Cité Scientifique, 59655, VIlleneuve d'Ascq CEDEX, France.
>
> danilo.olsouza at gmail.com
> d.oliveira-de-souza at ed.univ-lille1.fr
> tel: +33 06.63.55.86.12
>
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>

This is sort of "known problem".  That is, we know that there will be
some threshold where the underlying ifeffit engine will run out of
memory, way before any reasonable laptop being used today would
actually be short of memory.   I can't say that we know that 200
spectra will never work, or that 45 will always work, it depends on
the size of the arrays and how much processing  you've done on the
data.

The problem is effectively removed with Larch, the next generation of
the Ifeffit engine.  I know Bruce is working on (and making progress
on!) having Athena use Larch, which will be particularly useful for
handling large data sets.

For now, I think you're sort of stuck with having to grup the data as
you are doing.   As always, any help on Larch and Demeter would be
greatly welcome.

-- 
--Matt