Hi Bob and Toby. Hope you are keeping safe. It would be good if you and
others could send your replies to queries such as Alex's to the whole list,
rather than just to him. I'm sure other people could benefit from your
expertise.
Best wishes to all Rietvelders. Alan.
______________________________________________________
Dr Alan Hewat, NeutronOptics, Grenoble, FRANCE
from my telephone
<alan.he...@neutronoptics.com> +33.476.98.41.68
http://www.NeutronOptics.com/hewat
______________________________________________________
On Tue, 14 Apr 2020, 11:20 Alexandros Lappas, <lap...@iesl.forth.gr> wrote:
> Dear Bob,
>
>
>
> I have followed your suggestions and I can now run the auto-indexing by
> having read a list of d-spacings, mainly with reflections selected from the
> lower angle scattering banks.
>
>
>
> Thank you.
>
> Alex
>
>
>
> ----------------------------------------------------------
>
> Dr. Alexandros Lappas,
>
> Research Director,
>
> Institute of Electronic Structure and Laser (IESL),
>
> Foundation for Research and Technology - Hellas (FORTH),
>
> P.O. Box 1385, Vassilika Vouton,
>
> 711 10 Heraklion, Crete,
>
> GREECE
>
>
>
> Tel +30 2810 391344
>
> Fax +30 2810 391305
>
> Quantum Materials & Magnetism Lab
> <https://www.iesl.forth.gr/en/research/magnetic-materials>
>
> ----------------------------------------------------------
>
>
>
> *From:* Von Dreele, Robert B. [mailto:vondre...@anl.gov]
> *Sent:* 14 April 2020 07:02
> *To:* Toby, Brian H. <t...@anl.gov>; lap...@iesl.forth.gr
> *Cc:* rietveld_l@ill.fr
> *Subject:* RE: GSAS-II - indexing TOF data
>
>
>
> Dear Alex,
>
> When you have created your peaklist: just a list of d-spacings will do
> (not TOF) – order doesn’t matter; you can read them as a PKS histogram via
> the Data/Read Powder Pattern Peaks. The result will have a Unit Cell List
> for running the indexing routines. This is how the indexing routines were
> originally tested using the NBS 25 publication of d & I for a wide variety
> of substances all based on lab powder data. It is vital for indexing that
> you have the lowest order reflections – commonly difficult to get from TOF
> instruments. Avoid using very short d-spacing reflections; they hinder the
> indexing process. Use the 20-30 longest d-spacing reflections only.
>
> Best,
>
> Bob Von Dreele
>
>
>
> Sent from Mail <https://go.microsoft.com/fwlink/?LinkId=550986> for
> Windows 10
>
>
>
> *From: *Toby, Brian H. <t...@anl.gov>
> *Sent: *Monday, April 13, 2020 7:32 PM
> *To: *lap...@iesl.forth.gr
> *Cc: *rietveld_l@ill.fr; Von Dreele, Robert B. <vondre...@anl.gov>
> *Subject: *Re: GSAS-II - indexing TOF data
>
>
>
> Alex,
>
>
>
> We do not have a routine that will merge peaks from multiple histograms,
> but you can use “Save peaks” on each histogram to obtain the files for
> each. Them manually edit them to create a composite file which can be read
> in and then used for indexing.
>
>
>
> Brian
>
>
>
> On Apr 13, 2020, at 1:24 PM, Alexandros Lappas <lap...@iesl.forth.gr>
> wrote:
>
>
>
> Dear colleagues,
>
>
>
> We are working on some neutron time-of-flight (TOF) data and attempt to
> index them within GSAS-II.
>
>
>
> As the low-angle detector banks contain information that is not resolved
> by the higher angle banks, data indexing is not thorough.
>
>
>
> Could you please advise whether it is possible to combine “Peak List”
> information from individual detector banks with the purpose to create an
> “Index Peak List” that contains a more exhaustive set of reflections for
> indexing purposes within GSAS-II?
>
>
>
> If this is not possible within GSAS-II, could you please suggest an
> alternative ‘auto-indexing’ suite that may be able to handle TOF neutron
> data?
>
>
>
> Thank you.
>
> Alex Lappas
>
>
>
> ----------------------------------------------------------
>
> Dr. Alexandros Lappas,
>
> Research Director,
>
> Institute of Electronic Structure and Laser (IESL),
>
> Foundation for Research and Technology - Hellas (FORTH),
>
> P.O. Box 1385, Vassilika Vouton,
>
> 711 10 Heraklion, Crete,
>
> GREECE
>
>
>
> Tel +30 2810 391344
>
> Fax +30 2810 391305
>
> Quantum Materials & Magnetism Lab
> <https://www.iesl.forth.gr/en/research/magnetic-materials>
>
> ----------------------------------------------------------
>
>
>
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