XPowder includes the calculation of crystal size (domain of coherent diffraction) and strain by means of Williamson-Hall plot. The fitting of profiles is carried out simultaneously for Gauss, Lorentz and Pseudo-Voigt functions. The adjustment Pearson VII (including Super-Lorentzians) is optional. The width approaches can be selected: FWHM or Integral Broadening. The instrumental calibration function (F=U·Tan2 q+V·tan q+W) is carried out at the request of the user. In the calculation of Williamson-Hall plot the instrumental function F can be weigthed between 0 and 1 . To check the validity of the results with Round-Robin Strain-Size`s samples. Sample lebailsh.XY
http://www.du.edu/~balzar/s-s_rr.htm#Data%20for%20download, or in http://www.du.edu/~balzar/s-s_rr.htm . In this address are found synchrotron , neutrons and tube of X-ray samples, as well as patterns for calibration. |
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