[GSAS-II] GSAS-II Digest, Vol 303, Issue 1

[Huang Liu]

Thank you very much for your suggestion.  We have Y2O3 in our lab. I will try it. Thank you very much.

Best regards,
Huang
________________________________
From: GSAS-II <gsas-ii-bounces at aps.anl.gov> on behalf of gsas-ii-request at aps.anl.gov <gsas-ii-request at aps.anl.gov>
Sent: Saturday, April 24, 2021 10:00:01 AM
To: gsas-ii at aps.anl.gov
Subject: GSAS-II Digest, Vol 303, Issue 1

Send GSAS-II mailing list submissions to
        gsas-ii at aps.anl.gov

To subscribe or unsubscribe via the World Wide Web, visit
        https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii
or, via email, send a message with subject or body 'help' to
        gsas-ii-request at aps.anl.gov

You can reach the person managing the list at
        gsas-ii-owner at aps.anl.gov

When replying, please edit your Subject line so it is more specific
than "Re: Contents of GSAS-II digest..."


Today's Topics:

   1. Re: Instrument parameters (Leopoldo Suescun)


----------------------------------------------------------------------

Message: 1
Date: Sat, 24 Apr 2021 11:53:27 -0300
From: Leopoldo Suescun <leopoldo at fq.edu.uy>
To: "Toby, Brian H." <toby at anl.gov>
Cc: Huang Liu <huang.liu at utah.edu>, Huang Liu via GSAS-II
        <gsas-ii at aps.anl.gov>
Subject: Re: [GSAS-II] Instrument parameters
Message-ID:
        <CAAeV=thDqvA0vfZ2a6zoen9tH34vVaG3Y7yPTy8CBnWW2M2_LA at mail.gmail.com>
Content-Type: text/plain; charset="utf-8"

Hi Brian and Huang,
I use Y2O3 for this purpose. It is not very expensive and got a reasonable
amount of peaks at low angles. In order to minimize size and microstrain
effects, I fire pure Y2O3 for 3 days at 1200 ?C.
I hope it helps.
Leo

El lun, 19 abr 2021 a las 23:59, Toby, Brian H. via GSAS-II (<
gsas-ii at aps.anl.gov>) escribi?:

> Hi Huang,
>
>     First of all Si is not a good standard to use for instrument
> parameters. It has no peaks at low angle. LaB6 is a better choice. If you
> do not have that, perhaps others seeing this can recommend something
> readily available with plenty of sharp peaks.
>
>     GSAS-II has no limits on the number of phases that can be read, but
> there was a bug with reading that particular  CIF. In it the element types
> were specified as Ti0, Fe0 and O0 which GSAS-II could not process. I have
> repaired this bug in version #4887.
>
> Brian
>
> On Apr 18, 2021, at 6:04 PM, Huang Liu via GSAS-II <gsas-ii at aps.anl.gov>
> wrote:
>
> Hi,
>
> This is Huang Liu from the University of Utah. I am trying to use GSAS 2
> to do refinement on my data.
> 1. I try to get the instrument parameters according to the tutorial
>  (
> https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/FindProfParamCW.htm
> ).
> But the U parameters that I get are always negative, and the Rwp is above
> 10. I am using the data generated by*Rigaku mini flex 600 *by *using SRM
> Si 640d* as a standard sample for generating instrument profile
> parameters.   The attached file (Si-640d) is the original data.
> Could you please help me generate the instrument profile?  Thank you very
> much.
> 2. I try to import Ti2Fe4O phase into the GSAS2, but I failed.
> Since this is the third phase that I want to import. May I ask is there a
> phase quantities limit of import?
> If not, is there anything wrong with my CIF file (I downloaded it from the
> COD website?
> Attached is the Ti2Fe4O cif card downloaded from COD website.
> I would be very grateful if you can help me. Looking forward to your reply.
>
> Best regards,
> Huang Liu
> <Si-640d.ras><Ti4Fe2O.cif>_______________________________________________
> GSAS-II mailing list
> GSAS-II at aps.anl.gov
> https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii
>
>
> _______________________________________________
> GSAS-II mailing list
> GSAS-II at aps.anl.gov
> https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii



--
#YoUsoTapabocas y mantengo #DFS

Prof. Agr. Dr. Leopoldo Suescun
Cryssmat-Lab/DETEMA, Facultad de Qu?mica, Universidad de la Rep?blica.
e-mail: leopoldo at fq.edu.uy
Tel: (+598) 29290705
Fax: (+598) 29241906*
Mailing address:
Cryssmat-Lab./DETEMA
Facultad de Quimica
Av. Gral. Flores 2124
Montevideo 11800
Uruguay

Seguime en/Follow me at ResearchGate
https://www.researchgate.net/profile/Leopoldo_Suescun

ORC*ID*: https://orcid.org/0000-0002-7606-8074
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.aps.anl.gov/pipermail/gsas-ii/attachments/20210424/0f951807/attachment-0001.html>

------------------------------

Subject: Digest Footer

_______________________________________________
GSAS-II mailing list
GSAS-II at aps.anl.gov
https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii

------------------------------

End of GSAS-II Digest, Vol 303, Issue 1
***************************************
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.aps.anl.gov/pipermail/gsas-ii/attachments/20210426/33dc6bfe/attachment.html>