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-bounces@millenia.cars.aps.anl.gov] On Behalf Of Bruce Ravel Sent: 27 January 2016 14:33 To: XAFS Analysis using Ifeffit 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' *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.godfrey@ucl.ac.uk mailto:i.godfrey@ucl.ac.uk i.godfrey@jaist.ac.jp mailto:i.godfrey@jaist.ac.jp

02076 794864

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-- Bruce Ravel ------------------------------------ bravel@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/ _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit

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/9fa28926e5bd119d8d6574afa03b579... Will be in the next release. (Also easy to apply by hand, if you are so motivated.) B -- Bruce Ravel ------------------------------------ bravel@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/