anisotropic_hkl
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anisotropic_hkl [2014/08/06 13:51] – created carlospaivasantos | anisotropic_hkl [2022/11/03 15:08] (current) – external edit 127.0.0.1 | ||
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+ | Anisotropic broadening correction with more hkl options added from [[http:// | ||
+ | Sometimes it works better than the spherical harmonics broadening. | ||
+ | |||
+ | Works OK for low symmetry. | ||
+ | |||
+ | Copy the lines bellow and paste in the " | ||
+ | |||
+ | If you need to apply the correction to another phase, replace lor1 for lor2 and gauss1 for gauss2, etc. | ||
+ | |||
+ | =============================================================== | ||
+ | prm lor1_h00 200 min .3 | ||
+ | prm lor1_0k0 200 min .3 | ||
+ | prm lor1_00l 200 min .3 | ||
+ | prm lor1_hk0 200 min .3 | ||
+ | prm lor1_h0l 200 min .3 | ||
+ | prm lor1_0kl 200 min .3 | ||
+ | prm lor1_hkl 200 min .3 | ||
+ | prm gauss1_h00 200 min .3 | ||
+ | prm gauss1_0k0 200 min .3 | ||
+ | prm gauss1_00l 200 min .3 | ||
+ | prm gauss1_hk0 200 min .3 | ||
+ | prm gauss1_h0l 200 min .3 | ||
+ | prm gauss1_0kl 200 min .3 | ||
+ | prm gauss1_hkl 200 min .3 | ||
+ | |||
+ | prm = 1 / IB_from_CS(gauss1_h00, | ||
+ | prm = 0.89 / Voigt_FWHM_from_CS(gauss1_h00, | ||
+ | prm = 1 / IB_from_CS(gauss1_0k0, | ||
+ | prm = 0.89 / Voigt_FWHM_from_CS(gauss1_0k0, | ||
+ | prm = 1 / IB_from_CS(gauss1_00l, | ||
+ | prm = 0.89 / Voigt_FWHM_from_CS(gauss1_00l, | ||
+ | prm = 1 / IB_from_CS(gauss1_hk0, | ||
+ | prm = 0.89 / Voigt_FWHM_from_CS(gauss1_hk0, | ||
+ | prm = 1 / IB_from_CS(gauss1_h0l, | ||
+ | prm = 0.89 / Voigt_FWHM_from_CS(gauss1_h0l, | ||
+ | prm = 1 / IB_from_CS(gauss1_0kl, | ||
+ | prm = 0.89 / Voigt_FWHM_from_CS(gauss1_0kl, | ||
+ | prm = 1 / IB_from_CS(gauss1_hkl, | ||
+ | prm = 0.89 / Voigt_FWHM_from_CS(gauss1_hkl, | ||
+ | |||
+ | | ||
+ | (0.1 Rad Lam / Cos(Th)) / | ||
+ | IF And(H == 0, L == 0) THEN | ||
+ | | ||
+ | ELSE IF And(K == 0, L == 0) THEN | ||
+ | | ||
+ | ELSE IF And(H == 0, K == 0) THEN | ||
+ | | ||
+ | ELSE IF And(H == 0) THEN | ||
+ | | ||
+ | ELSE IF And(K == 0) THEN | ||
+ | | ||
+ | ELSE IF And(L == 0) THEN | ||
+ | | ||
+ | ELSE | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | |||
+ | | ||
+ | (0.1 Rad Lam / Cos(Th)) / | ||
+ | IF And(H == 0, L == 0) THEN | ||
+ | | ||
+ | ELSE IF And(K == 0, L == 0) THEN | ||
+ | | ||
+ | ELSE IF And(H == 0, K == 0) THEN | ||
+ | | ||
+ | ELSE IF And(H == 0) THEN | ||
+ | | ||
+ | ELSE IF And(K == 0) THEN | ||
+ | | ||
+ | ELSE IF And(L == 0) THEN | ||
+ | | ||
+ | ELSE | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | ============================================================= | ||
anisotropic_hkl.txt · Last modified: 2022/11/03 15:08 by 127.0.0.1