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A Scherrer Formula and interpreting values

  1. Oct 18, 2016 #1
    I have developed a script in MATLAB that can detect peaks from datas and that can find FWHM of detected peaks. Scripts gives reliable results but crystallites sizes are different a little from this online calculator.

    Link to my data: http://pastebin.com/Ut9YgKGs

    Generated physical properties from MATLAB: http://pastebin.com/K0uEZ6Mr

    I made all conversion, degree to rad. The problem is that I don't have enough crystallography background to interpret the data. So how can I be sure from the values?

    Check also this if you are interested in script.
     
  2. jcsd
  3. Oct 18, 2016 #2
    Dear OP.
    The difference between the calculator and your determination can be:
    1. Strain/stress peak broadening.
    2. Orientation.
    3. grain geometry.
    4. Superposition of different phases.
    5. Non-Gaussian peak profile.
    6. Different geometric constant.
    7. Improper baseline subtraction.
    8. Improper internal shift corrections.
    9. Different instrumental broadening.

    In case you are interested please refer to Retrieved mailing list.
    There is freeware available that can help in determinate grain size like Fityk.
    You can visit also CCP14 (sends for computational crystallography) where you can accesses to many software, shareware, freewares and applications.

    Goodluck
     
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