Re: [Ifeffit] Is there a Artemis User's Guide like the Athena?

2007-12-14 Thread Ravel, Bruce
 
 Hi Bruce

 I have spent 1 month to learn the Athena by using your ATHENA User's Guide
 updated at Aug. 31,2007. I am very satisfied with it and thank you very
 much. Now I am learning the ARTEMIS. However, till now I can not find a
 suitable guide for a beginner. The PPT wrote by Shelly is not suitable for
 me. And the artemisdoc.pod is also puzzled me. Is there a Artemis User's
 Guide like the Athena?

 Thanks

 Kefan

 -- 
 Kefan Wang
 School of Physics and Electronics
 Henan University, 475004
 E-mail: [EMAIL PROTECTED]; [EMAIL PROTECTED]


Hi Kefan,

I suspect that my answer to this question will be of broad interest,
so I am taking the liberty of CCing the Ifeffit mailing list.

Thank you for the very kind words regaridng Athena.  I am pleased that
you found the Athena User's Guide so helpful.  Sadly, I have not yet
written a document of comparable extent for Artemis.  I certainly
understand that there is a need for comparable user guide, but finding
the time and energy to write one has not yet happened.  Writing the
Athena User's Guide was fairly exhausting and I need to take a break
before embarking on a similarly large document for Artemis.

I have to defend Shelly's various presentations.  I think they have a
lot of good information in them.  I think that using them along with
other resources can give you enough of an overview of Artemis to get
started.  I strongly recommend that you work through Scott Calvin's
ZnO example, which can be foun at 
   http://cars9.uchicago.edu/iffwiki/HoraeSoftware#contrib
ZnO is somewhat of an idealized example -- many of us work on
problems that are pretty far removed from a simple crystal like ZnO.
However, Scott's example is quite thorough.  Working through it while
carefully following his comments in the project journals will
introduce many of Artemis' features.

As for the pod file -- those are the files that get displayed when you
click on one of the documentation buttons from within Artemis.  I
acknowledge that they are thin on details and somewhat out of date.

The last bit of advice I can give you is to read the papers written by
the names you see on the Ifeffit mailing list.  The folks who offer
answers to question on the list are also some of the best
practitioners of EXAFS analysis using Feff.  Although it might seem
funny to read papers by Anatoly Frenkel or Paul Fons if you are
studying environmental science (or Shelly Kelly's if you are a
materials scientist), I strongly recommend doing so anyway.  Their
science might be pretty far away from what you do, but the EXAFS
analysis strategies are quite instructive and are certainly
transferable.

I know that is not the answer you were hoping for, but it may be
helpful nonetheless.

Regards,
B

--
 Bruce Ravel  --- [EMAIL PROTECTED]

 National Institute of Standards and Technology
 Synchrotron Methods Group at Brookhaven National Laboratory
 Building 535A
 Upton NY, 11973

 My homepage:http://cars9.uchicago.edu/~ravel
 EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/

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Re: [Ifeffit] Is there a Artemis User's Guide like the Athena?

2007-12-14 Thread Anatoly Frenkel
What would be really useful is to make a searchable database with links
to original publications (many of them are more than 20 years old but
are still the best resources on many issues) on many subjects discussed
in this list. 
 
For example: 
 
Number of independent data points: see Stern and Heald arcticle in
Handbook on Synchrotron Radiation, Ed Stern PRB article, etc.
 
Thickness effects: Kim and Stern PRB
 
Cumulants: G. Bunker, Nucl. Instrum. Methods in 1980s
 
Background removal: Newville, Livins, PRB etc.
 
Multiple scattering collinear paths and angular dependence of f(k): Lee
and Pendry PRB (1975?)
 
Transferability of photoelectron phase: Citrin, Kincaid, et al, Phys Rev
B, 1970s
 
(I may be wrong in the years and order of authors, but this this the
idea).
 
It would be so useful if someone (I cannot do it but will be happy to
help) took care of putting together a backbone version of it and set it
up as, say, wiki (which is  Bruce's idea as I once brought it up to
him). I am sure most of us will be happy to contribute references that
we know. Thus, such database may become an exhaustive resource of
information that should be a primer for every XAFS user. 
 
Anatoly
 
 

  

-Original Message-
From: [EMAIL PROTECTED]
[mailto:[EMAIL PROTECTED] On Behalf Of Richard
Mayes
Sent: Friday, December 14, 2007 11:02 AM
To: XAFS Analysis using Ifeffit
Cc: [EMAIL PROTECTED]; [EMAIL PROTECTED]
Subject: Re: [Ifeffit] Is there a Artemis User's Guide like the Athena?



Kefan,

As someone who was in your place 2 years ago, one thing Bruce mentioned
was reading the papers of people you find on the mail list, however he
didn't specifically mention searching the mail list.  When I had
questions, the answers were often already discussed on the mail-list.
If
you're not a member of the mail-list, I highly recommend you join.  As I
currently struggle writing a how-to manual that's supposed to shorten
the
XAFS learning curve for our group, I find myself searching the mail-list
archives often to see how different people approach different issues.

Good luck on your quest!
-Richard



 Hi Bruce

 I have spent 1 month to learn the Athena by using your ATHENA User's
 Guide
 updated at Aug. 31,2007. I am very satisfied with it and thank you
very
 much. Now I am learning the ARTEMIS. However, till now I can not find
a
 suitable guide for a beginner. The PPT wrote by Shelly is not
suitable
 for
 me. And the artemisdoc.pod is also puzzled me. Is there a Artemis
 User's
 Guide like the Athena?

 Thanks

 Kefan

 --
 Kefan Wang
 School of Physics and Electronics
 Henan University, 475004
 E-mail: [EMAIL PROTECTED]; [EMAIL PROTECTED]


 Hi Kefan,

 I suspect that my answer to this question will be of broad interest,
 so I am taking the liberty of CCing the Ifeffit mailing list.

 Thank you for the very kind words regaridng Athena.  I am pleased that
 you found the Athena User's Guide so helpful.  Sadly, I have not yet
 written a document of comparable extent for Artemis.  I certainly
 understand that there is a need for comparable user guide, but finding
 the time and energy to write one has not yet happened.  Writing the
 Athena User's Guide was fairly exhausting and I need to take a break
 before embarking on a similarly large document for Artemis.

 I have to defend Shelly's various presentations.  I think they have a
 lot of good information in them.  I think that using them along with
 other resources can give you enough of an overview of Artemis to get
 started.  I strongly recommend that you work through Scott Calvin's
 ZnO example, which can be foun at
http://cars9.uchicago.edu/iffwiki/HoraeSoftware#contrib
 ZnO is somewhat of an idealized example -- many of us work on
 problems that are pretty far removed from a simple crystal like ZnO.
 However, Scott's example is quite thorough.  Working through it while
 carefully following his comments in the project journals will
 introduce many of Artemis' features.

 As for the pod file -- those are the files that get displayed when you
 click on one of the documentation buttons from within Artemis.  I
 acknowledge that they are thin on details and somewhat out of date.

 The last bit of advice I can give you is to read the papers written by
 the names you see on the Ifeffit mailing list.  The folks who offer
 answers to question on the list are also some of the best
 practitioners of EXAFS analysis using Feff.  Although it might seem
 funny to read papers by Anatoly Frenkel or Paul Fons if you are
 studying environmental science (or Shelly Kelly's if you are a
 materials scientist), I strongly recommend doing so anyway.  Their
 science might be pretty far away from what you do, but the EXAFS
 analysis strategies are quite instructive and are certainly
 transferable.

 I know that is not the answer you were hoping for, but it may be
 helpful nonetheless.

 Regards,
 B

 --
  Bruce Ravel  --- [EMAIL PROTECTED]

  National Institute of 

Re: [Ifeffit] Is there a Artemis User's Guide like the Athena?

2007-12-14 Thread Ravel, Bruce

 
 What would be really useful is to make a searchable database with links
 to original publications (many of them are more than 20 years old but
 are still the best resources on many issues) on many subjects discussed
 in this list. 

Anatoly,

This seems like an awfully good start:

   http://scon155.phys.msu.su/~papers/

In fact, you seem to be the first hit for a search of cumulants!

Alexander seems to have done a very nice job.  Some more web-fu would
be nice -- for instance, actual links to the articles or to their DOI
numbers would be very helpful for those of us lucky enough tobe at
institutions with extensive subscription collections.  Mirrors of the
database and web page on other continents might also be helpful.

B


--
 Bruce Ravel  --- [EMAIL PROTECTED]

 National Institute of Standards and Technology
 Synchrotron Methods Group at Brookhaven National Laboratory
 Building 535A
 Upton NY, 11973

 My homepage:http://cars9.uchicago.edu/~ravel
 EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/
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[Ifeffit] two issues with Athena on Windows and one with Artemis

2007-12-14 Thread Ravel, Bruce


Hi,

For the last few weeks, I have been doing experiments at beamlines
with Windows machines.  This has afforded me more time than normal
using my programs under Windows.  I am appreciating my linux machines
more than normal, but that is not the point of this email ;-)

I have found a few issues that I wanted to address even though no one
has yet mentioned them on this list.

 1. Combo-box menus:  In Athena, combo boxes are used for a variety of
purposes.  For instance, in the alignment dialog, a combo box is
used to select the data group for use as the alignment standard.
It seems that selecting items from the drop-down list does not
work as expected.  Clicking to post the drop down menu then
clicking on your choice does not cause your choice to be inserted
into the combo-box text area.

The work-around that I have found is to first *right* click on
your selection, then *left* click on it.  I cannot explain why
this works and I wish the whole thing just worked correctly.  At
least there is a work-around!  (Another work-around is to move
the appropriate group to the top of the list, but I dislike the
right-click/left-click solution less ;-/ .)

 2. Several people have mentioned privately that the most recent
version of Athena seems very sluggish on Windows.  I agree and so,
I think, does Matt.  We changed how the compiled parts get
compiled for the most recent release and perhaps some bed seeting
were used.  We'll look into for the next release.

While doing some profiling on my new coding project, Demeter, I
figured out a reasonably simple and very fruitful optimization for
the interaction between my perl code and the Ifeffit library.  I
will implement that for the next release of Athena.  Hopefully the
next version will be snappier.  For now, I apologize that the
performance of Athena is less than it should be.

 3. In Artemis, there are two or three menu items which involve
importing something from a file.  One example is Import variables
from text file under the GDS menu.  On Windows, this fails to
post the file selection dialog and spews error messages to the
console.  This bug will be fixed in the next release.  Sadly,
there is no work-around that I know of.

Regards,
B


--
 Bruce Ravel  --- [EMAIL PROTECTED]

 National Institute of Standards and Technology
 Synchrotron Methods Group at Brookhaven National Laboratory
 Building 535A
 Upton NY, 11973

 My homepage:http://cars9.uchicago.edu/~ravel
 EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/



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Re: [Ifeffit] Is there a Artemis User's Guide like the Athena?

2007-12-14 Thread Matt Newville
Kefan,

I suggest starting with Bruce's lecture and example of fitting methyl tin:

  
http://xafs.org/Workshops/APS2007?action=AttachFiledo=gettarget=Ravel_artemis.pdf
  http://xafs.org/Workshops/APS2007?action=AttachFiledo=gettarget=Ravel.zip

as it really gives a nice approach to building up from the beginning
and shows not
only the concepts but enough of which buttons to push to actually
get a real fit yourself.

Fitting with Artemis/Ifeffit definitely takes some study.   That's why
there are training courses
and online notes and mailing lists.

--Matt
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