Rietveld refinement of XRD data with known phases in GSAS

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  • Опубликовано: 26 ноя 2024

Комментарии • 27

  • @mehranalam1274
    @mehranalam1274 6 месяцев назад +1

    I will work on this software, as the video is in detail and easy to understand. Thanks Sir for sharing ! knowle

    • @SAYPhysics
      @SAYPhysics  6 месяцев назад

      Good for you. Here's the playlist where all the relevant videos to GSAS are present. Thanks

  • @karimchourti
    @karimchourti 3 месяца назад +1

    Thank you for vedio. What are the acceptable values for reliability factors (Rp, Gof, etc.) if Rwp is 8, or should it be below 5?

    • @SAYPhysics
      @SAYPhysics  3 месяца назад

      Thank you for your comment! Generally, acceptable values for reliability factors like Rp, Rwp, and Gof can vary depending on the complexity of the sample and the quality of the data. An Rwp value around 8% can still be acceptable, especially if the data is complex. However, lower values (below 5%) are generally preferred for higher precision. It’s important to consider other factors like the goodness-of-fit (Gof) and the visual quality of the fit when evaluating the refinement.

  • @lucassaraiva628
    @lucassaraiva628 3 месяца назад +1

    Great video! Why put spikes in the background and what does it mean? Is it correct to do this?

    • @SAYPhysics
      @SAYPhysics  3 месяца назад

      I don't know what do you mean by the spikes? Would you like to mention the angles at which you are observing the spikes. Thanks

  • @pwcs
    @pwcs 6 месяцев назад +1

    Congratulations on the channel, you have very useful videos. One question: I'm refining the FullProff program and I'm learning how to use GSAS, in fullproff we can refunct UVW separately for each phase, is it possible to do this in GSAS?

    • @SAYPhysics
      @SAYPhysics  6 месяцев назад

      Thank you for your comment! In GSAS, the UVW parameters are part of the global instrument profile and cannot be refined separately for each phase. However, you can refine other parameters specific to each phase, such as lattice parameters, atomic positions, occupancies, and thermal parameters. For phase-specific broadening, consider using models for microstrain or crystallite size that can be applied individually to each phase.

  • @uchennaubeh9498
    @uchennaubeh9498 4 месяца назад +1

    Thank you for this great video with useful details on refinement for beginners. Could you please provide a link to the sample files? I think I missed it.

    • @SAYPhysics
      @SAYPhysics  4 месяца назад

      Thanks for the appreciation dear. Please check the video description for the download link of the files used in this tutorial.

    • @uchennaubeh9498
      @uchennaubeh9498 4 месяца назад +1

      @@SAYPhysics Thank you!

    • @SAYPhysics
      @SAYPhysics  4 месяца назад

      You're welcome dear

  • @ms.cmozahimazizalamery7880
    @ms.cmozahimazizalamery7880 3 месяца назад +1

    Good evening... Could you please publish a video for us on the method of analyzing the plasma spectrum using the Origin program... It includes calculating the Debye temperature, electron density and other parameters, please... Because we are in dire need of this analysis, we are followers of your distinguished RUclips channel.

    • @SAYPhysics
      @SAYPhysics  3 месяца назад +1

      Thanks for the appreciation and positive comments. Yes sure. I'm planning to cover all these tutorials. Stay tuned.

    • @ms.cmozahimazizalamery7880
      @ms.cmozahimazizalamery7880 3 месяца назад +1

      @@SAYPhysics Thank you.. Okay, my dear, waiting for you

    • @SAYPhysics
      @SAYPhysics  3 месяца назад

      @ms.cmozahimazizalamery7880 you're most welcome

  • @thedarkknight3142
    @thedarkknight3142 26 дней назад +1

    Can data of unknown phases be possible to determined with gsas?
    I used fullprof but couldn't find space group!

    • @SAYPhysics
      @SAYPhysics  26 дней назад +1

      Yes. Here's the playlist which will guide you for the same. Thanks
      studio.ruclips.net/user/playlistPLeWSImvDbplc_AZQn7PBr94AQCNnO9POu/videos

    • @thedarkknight3142
      @thedarkknight3142 26 дней назад

      @SAYPhysics link isn't working unfortunately!!
      Do you have any complementary link?

  • @Diegosr97
    @Diegosr97 6 месяцев назад +1

    Good video, I did a search but can't find a cif file or anything about atomic possition about 1 of my 2 phases in my sample, do you know an alternative way to de al with that situation.

    • @SAYPhysics
      @SAYPhysics  6 месяцев назад +1

      For an unknown sample, you may check back this video tutorial ruclips.net/video/Sqajk6B_U1c/видео.html. Once you are done with the phases as CIF files, you may go on for the final refinement with these phases. Thanks

  • @gsankar-x7v
    @gsankar-x7v 2 месяца назад

    hello sir. As per my knowledge making all the peaks in background is not a good approximation for the refinement. it can be acceptable only when the peaks are very minor and weaker one. Could you please try to do refinement without peaks in background .it will be really helpfull.

    • @SAYPhysics
      @SAYPhysics  2 месяца назад

      Thank you for your insightful comment. You’re correct that treating all peaks in the background as noise isn't ideal for refinement, especially when the peaks are significant. This approach might only work when the background peaks are very minor or weak. I appreciate your suggestion and will definitely try to conduct a refinement without considering the background peaks. However, when phases are known and we are sure about no impurities, this is an easy way to to do it.

  • @farhadshah7075
    @farhadshah7075 6 месяцев назад +1

    Dear sir plz make videos on wien2k software

    • @SAYPhysics
      @SAYPhysics  6 месяцев назад

      I'm sorry that I'm not an expert in Wien2k. Thanks

  • @omarmorales2303
    @omarmorales2303 3 месяца назад

    Hi. How can i find the prm file?

    • @SAYPhysics
      @SAYPhysics  3 месяца назад

      Please check the video description, I have provided link for downloading all the required files including the prm file. Thanks