[GSAS-II] [EXTERNAL] RE: Refining patterns with Kβ radiation

[Meusburger, Johannes M. (ARC-STX)[Oak Ridge Associated Universities]]

Dear Bob and Davide,

Thanks for the helpful replies! For anyone facing the same problem in the future: Profex is a free software that can also incorporate Kbeta emission contributions, however as an avid GSAS user I did not want to switch before consulting the mailing list.

Thanks again and all the best,

Johannes


________________________________________________________

Johannes Meusburger, Ph.D.

NASA Postdoctoral Program Fellow

Exobiology Branch

NASA Ames Research Center

Moffet Field, CA

________________________________
From: Von Dreele, Robert B. <vondreele at anl.gov>
Sent: Wednesday, September 6, 2023 5:24 AM
To: davide.levy69 at gmail.com <davide.levy69 at gmail.com>; Meusburger, Johannes M. (ARC-STX)[Oak Ridge Associated Universities] <johannes.m.meusburger at nasa.gov>; gsas-ii at aps.anl.gov <gsas-ii at aps.anl.gov>
Subject: [EXTERNAL] RE: [GSAS-II] Refining patterns with Kβ radiation


Dear Johannes,

We have not implemented the inclusion of a Kb radiation along with Ka1 & 2. Besides the extra wavelength & intensity ratio, it will have different instrument resolution (UVW) parameters than the Ka1 & Ka2 pair. Sorry, I’m afraid you’re stuck with topas for this.

Best,

Bob





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From: davide levy via GSAS-II<mailto:gsas-ii at aps.anl.gov>
Sent: Tuesday, September 5, 2023 11:40 PM
To: 'Meusburger, Johannes M. (ARC-STX)[Oak Ridge Associated Universities]'<mailto:johannes.m.meusburger at nasa.gov>; gsas-ii at aps.anl.gov<mailto:gsas-ii at aps.anl.gov>
Subject: Re: [GSAS-II] Refining patterns with Kβ radiation



With TOPAS is possible.



From: GSAS-II <gsas-ii-bounces at aps.anl.gov> On Behalf Of Meusburger, Johannes M. (ARC-STX)[Oak Ridge Associated Universities] via GSAS-II
Sent: Wednesday, September 6, 2023 2:58 AM
To: gsas-ii at aps.anl.gov
Subject: [GSAS-II] Refining patterns with Kβ radiation



Hi everyone,



Is it possible to refine diffraction data acquired with CoKα1, CoKα2 and CoKβ radiation in GSAS-II?  In the instrument parameter file section of the documentation, I have just found the keywords Lam1:, Lam2: to define the wavelength and I(L2)/I(L1): to define the intensity ratio. Is there a way to include a Lam3 for the Kβ radiation?



Thanks and all the best,



Johannes

___________________________________________________________

Johannes Meusburger, Ph.D.

NASA Postdoctoral Program Fellow

Exobiology Branch

NASA Ames Research Center

Moffet Field, CA




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