wifd_pkshape
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wifd_pkshape [2009/08/06 11:10] – created clare | wifd_pkshape [2022/11/03 15:08] (current) – external edit 127.0.0.1 | ||
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+ | ====== Wifd_pkshape ====== | ||
+ | |||
+ | |||
+ | Description: | ||
+ | |||
+ | Why: closer to fundamental parameters description for hrpd and better over large q range than other descriptions | ||
+ | |||
+ | Contributed by: Bill David | ||
+ | |||
+ | <code topas> | ||
+ | macro wifd_pkshape(two_theta, | ||
+ | local | ||
+ | local | ||
+ | prm aprm aprmv min 1.5 max 2.5 | ||
+ | prm tauf_2 | ||
+ | prm tauf_1 | ||
+ | prm tauf_0 | ||
+ | user_defined_convolution = X^aprm Exp(-X / (tauf_0 + tauf_1 lam + tauf_2 lam^2)); min 0 max = 20 aprm tauf_1 lam; | ||
+ | |||
+ | prm taus_0 | ||
+ | prm taus_1 | ||
+ | prm t_eff t_effv min 90.0 | ||
+ | local storage = Exp( -950 /(t_eff lam lam)) ; | ||
+ | push_peak | ||
+ | prm hhh hhhv min .001 | ||
+ | prm hhh_0 hhh_0v min 0.001 | ||
+ | hat = hhh_0 + hhh D_spacing; | ||
+ | scale_top_peak = (1-storage); | ||
+ | bring_2nd_peak_to_top | ||
+ | hat = hhh_0 + hhh D_spacing; | ||
+ | scale_top_peak = storage; | ||
+ | exp_conv_const = -Ln(0.001) (taus_0 + lam taus_1); | ||
+ | add_pop_1st_2nd_peak | ||
+ | } | ||
+ | </ | ||
+ | |||
+ | Some caveat emptor values to get you going are: | ||
+ | |||
+ | <code topas> | ||
+ | wifd_pkshape(two_theta, | ||
+ | wifd_pkshape(two_theta, | ||