Re: [Ifeffit] FW: Data summation - missing groups

2016-02-01 Thread Godfrey, Ian 
Works like a charm!

Thanks,

Ian

-Original Message-
From: Ifeffit [mailto:ifeffit-boun...@millenia.cars.aps.anl.gov] On Behalf Of 
Bruce Ravel
Sent: 27 January 2016 18:13
To: XAFS Analysis using Ifeffit <ifeffit@millenia.cars.aps.anl.gov>
Subject: Re: [Ifeffit] FW: Data summation - missing groups

On 01/27/2016 11:24 AM, Godfrey, Ian wrote:
> Having said that, I've downloaded and applied the patches from github 
> and have found a slightly annoying behaviour. Everytime I use the the 
> buttons under the plotlist (both the orange ones and the purple ones) 
> the component lists reset.
>
> i.e. I set up a sum with component 1 as, say, HAuCl4 standard and 
> component 2 as, say, Au foil and plot it. I then plot a couple of 
> datasets using the buttons on the RHS. At this point all the component 
> lists reset themselve to blank. I can reselect the component from the 
> dropdown easily enough, but this is annoying if I have several 
> components set up with corresponding weightings in a summation.

Simple fix committed at

https://github.com/bruceravel/demeter/commit/9fa28926e5bd119d8d6574afa03b579647ab519b

Will be in the next release.  (Also easy to apply by hand, if you are so
motivated.)

B

--
  Bruce Ravel   bra...@bnl.gov

  National Institute of Standards and Technology
  Synchrotron Science Group at NSLS-II
  Building 535A
  Upton NY, 11973

  Homepage:http://bruceravel.github.io/home/
  Software:https://github.com/bruceravel
  Demeter: http://bruceravel.github.io/demeter/
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Re: [Ifeffit] FW: Data summation - missing groups

2016-01-27 Thread Bruce Ravel 

On 01/27/2016 11:24 AM, Godfrey, Ian wrote:

Having said that, I've downloaded and applied the patches from github
and have found a slightly annoying behaviour. Everytime I use the the
buttons under the plotlist (both the orange ones and the purple ones)
the component lists reset.

i.e. I set up a sum with component 1 as, say, HAuCl4 standard and
component 2 as, say, Au foil and plot it. I then plot a couple of
datasets using the buttons on the RHS. At this point all the
component lists reset themselve to blank. I can reselect the
component from the dropdown easily enough, but this is annoying if I
have several components set up with corresponding weightings in a
summation.


You are correct.  That is working wrongly.  I'll look into it.

B

--
 Bruce Ravel   bra...@bnl.gov

 National Institute of Standards and Technology
 Synchrotron Science Group at NSLS-II
 Building 535A
 Upton NY, 11973

 Homepage:http://bruceravel.github.io/home/
 Software:https://github.com/bruceravel
 Demeter: http://bruceravel.github.io/demeter/
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Re: [Ifeffit] FW: Data summation - missing groups

2016-01-27 Thread Bruce Ravel 

On 01/27/2016 11:24 AM, Godfrey, Ian wrote:

Having said that, I've downloaded and applied the patches from github
and have found a slightly annoying behaviour. Everytime I use the the
buttons under the plotlist (both the orange ones and the purple ones)
the component lists reset.

i.e. I set up a sum with component 1 as, say, HAuCl4 standard and
component 2 as, say, Au foil and plot it. I then plot a couple of
datasets using the buttons on the RHS. At this point all the
component lists reset themselve to blank. I can reselect the
component from the dropdown easily enough, but this is annoying if I
have several components set up with corresponding weightings in a
summation.


Simple fix committed at

https://github.com/bruceravel/demeter/commit/9fa28926e5bd119d8d6574afa03b579647ab519b

Will be in the next release.  (Also easy to apply by hand, if you are so 
motivated.)


B

--
 Bruce Ravel   bra...@bnl.gov

 National Institute of Standards and Technology
 Synchrotron Science Group at NSLS-II
 Building 535A
 Upton NY, 11973

 Homepage:http://bruceravel.github.io/home/
 Software:https://github.com/bruceravel
 Demeter: http://bruceravel.github.io/demeter/
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Re: [Ifeffit] FW: Data summation - missing groups

2016-01-27 Thread Godfrey, Ian 
Having said that, I've downloaded and applied the patches from github and have 
found a slightly annoying behaviour. Everytime I use the the buttons under the 
plotlist (both the orange ones and the purple ones) the component lists reset.

i.e. I set up a sum with component 1 as, say, HAuCl4 standard and component 2 
as, say, Au foil and plot it. I then plot a couple of datasets using the 
buttons on the RHS. At this point all the component lists reset themselve to 
blank. I can reselect the component from the dropdown easily enough, but this 
is annoying if I have several components set up with corresponding weightings 
in a summation.

Thanks,

Ian

-Original Message-
From: Ifeffit [mailto:ifeffit-boun...@millenia.cars.aps.anl.gov] On Behalf Of 
Bruce Ravel
Sent: 27 January 2016 14:33
To: XAFS Analysis using Ifeffit <ifeffit@millenia.cars.aps.anl.gov>
Subject: Re: [Ifeffit] FW: Data summation - missing groups

On 01/27/2016 06:33 AM, Godfrey, Ian wrote:
> Sorry, I've just seen that this has already been reported.

Indeed: 
http://millenia.cars.aps.anl.gov/pipermail/ifeffit/2015-November/008320.html

This problem will be fixed whenever the next version of Demeter comes out.

I apologize for the inconvenience in the meantime.

B

> Ian
>
> *From:*Godfrey, Ian
> *Sent:* 27 January 2016 11:21
> *To:* 'XAFS Analysis using Ifeffit' 
> <ifeffit@millenia.cars.aps.anl.gov>
> *Subject:* Data summation - missing groups
>
> Dear All,
>
> When using the data summation tool in Athena (0.9.24 x64 on Win10 Pro) 
> the first group in the group list seems to be missing from the 
> dropdown showing the potential components of a summation (see attached 
> screenshot).
>
> To reproduce:
>
> 1) Open attached project file and import with "select all" on the 
> import dialogue box
>
> 2) Change to data summation window
>
> 3) Try and add the first data group (234) to the summation from the 
> dropdown menus. (In the screenshot I've changed the default normmu(E) 
> to mu(E), but the same behaviour is displayed in both cases.)
>
> On a related note, I'm not sure I fully understand how the data 
> summation is different from the merge? Clearly data summation allows 
> you more control (arbitrary weighting of groups etc.) and is intended 
> for XANES analysis, but is it a fundamentally different procedure or 
> just a different interface for the same thing?
>
> Thanks,
>
> Ian
>
> Ian Godfrey
>
> PhD Student,
>
> UCL/JAIST Programme
>
> Industrial Doctorate Centre in Molecular Modelling and Materials 
> Science,
>
> Department of Chemistry,
>
> University College London,
>
> And
>
> School of Materials Science,
>
> Japan Advaned Institute of Science and Technology
>
> i.godf...@ucl.ac.uk <mailto:i.godf...@ucl.ac.uk> i.godf...@jaist.ac.jp 
> <mailto:i.godf...@jaist.ac.jp>
>
> 02076 794864
>
>
>
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>


--
  Bruce Ravel   bra...@bnl.gov

  National Institute of Standards and Technology
  Synchrotron Science Group at NSLS-II
  Building 535A
  Upton NY, 11973

  Homepage:http://bruceravel.github.io/home/
  Software:https://github.com/bruceravel
  Demeter: http://bruceravel.github.io/demeter/
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[Ifeffit] FW: Data summation - missing groups

2016-01-27 Thread Godfrey, Ian 
Sorry, I've just seen that this has already been reported.

Ian

From: Godfrey, Ian
Sent: 27 January 2016 11:21
To: 'XAFS Analysis using Ifeffit' 
Subject: Data summation - missing groups

Dear All,

When using the data summation tool in Athena (0.9.24 x64 on Win10 Pro) the 
first group in the group list seems to be missing from the dropdown showing the 
potential components of a summation (see attached screenshot).

To reproduce:

1) Open attached project file and import with "select all" on the import 
dialogue box
2) Change to data summation window
3) Try and add the first data group (234) to the summation from the dropdown 
menus. (In the screenshot I've changed the default normmu(E) to mu(E), but the 
same behaviour is displayed in both cases.)

On a related note, I'm not sure I fully understand how the data summation is 
different from the merge? Clearly data summation allows you more control 
(arbitrary weighting of groups etc.) and is intended for XANES analysis, but is 
it a fundamentally different procedure or just a different interface for the 
same thing?

Thanks,

Ian


Ian Godfrey

PhD Student,
UCL/JAIST Programme

Industrial Doctorate Centre in Molecular Modelling and Materials Science,
Department of Chemistry,
University College London,

And

School of Materials Science,
Japan Advaned Institute of Science and Technology

i.godf...@ucl.ac.uk 
i.godf...@jaist.ac.jp

02076 794864

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Re: [Ifeffit] FW: Data summation - missing groups

2016-01-27 Thread Bruce Ravel 

On 01/27/2016 06:33 AM, Godfrey, Ian wrote:

Sorry, I’ve just seen that this has already been reported.


Indeed: 
http://millenia.cars.aps.anl.gov/pipermail/ifeffit/2015-November/008320.html


This problem will be fixed whenever the next version of Demeter comes out.

I apologize for the inconvenience in the meantime.

B


Ian

*From:*Godfrey, Ian
*Sent:* 27 January 2016 11:21
*To:* 'XAFS Analysis using Ifeffit' 
*Subject:* Data summation - missing groups

Dear All,

When using the data summation tool in Athena (0.9.24 x64 on Win10 Pro)
the first group in the group list seems to be missing from the dropdown
showing the potential components of a summation (see attached screenshot).

To reproduce:

1) Open attached project file and import with “select all” on the import
dialogue box

2) Change to data summation window

3) Try and add the first data group (234) to the summation from the
dropdown menus. (In the screenshot I’ve changed the default normmu(E) to
mu(E), but the same behaviour is displayed in both cases.)

On a related note, I’m not sure I fully understand how the data
summation is different from the merge? Clearly data summation allows you
more control (arbitrary weighting of groups etc.) and is intended for
XANES analysis, but is it a fundamentally different procedure or just a
different interface for the same thing?

Thanks,

Ian

Ian Godfrey

PhD Student,

UCL/JAIST Programme

Industrial Doctorate Centre in Molecular Modelling and Materials Science,

Department of Chemistry,

University College London,

And

School of Materials Science,

Japan Advaned Institute of Science and Technology

i.godf...@ucl.ac.uk  i.godf...@jaist.ac.jp


02076 794864



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--
 Bruce Ravel   bra...@bnl.gov

 National Institute of Standards and Technology
 Synchrotron Science Group at NSLS-II
 Building 535A
 Upton NY, 11973

 Homepage:http://bruceravel.github.io/home/
 Software:https://github.com/bruceravel
 Demeter: http://bruceravel.github.io/demeter/
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