JMack Hi All, I'm wondering if there is a good way to add a weighting penalty onto the crystallite size resulting from the Lvol macro. I.e., I know a given crystallite size from TEM, and want to fix the Lvol value, but am ok letting the gaussian and Lorentzian refine as they do. Thanks in advance, Jacob
JMack Resolved; prm lvol1 = 0.89 / Voigt_FWHM_GL(1/csgc1,1/cslc1); : 15.00000_0.69248 prm lvol2 = 0.89 / Voigt_FWHM_GL(1/csgc2,1/cslc2); : 5.00000_296.25122 penalties_weighting_K1 2 penalty = (15 - lvol1)2; : 5.70136178e-012penalty = (5 - lvol2)^2; : 9.18036867e-018
rowlesmr Just checking that you know the difference between area-weighted crystallite size and volume-weighted? Normally, imaging gives you the first, and diffraction the second. Not that I have any experience in doing the first...