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wifd_mic [2009/12/14 07:56]
johnsoevans
wifd_mic [2012/01/27 19:36]
johnsoevans
Line 3: Line 3:
 Description:​ Bill David peak shape for GEM diffractometer Description:​ Bill David peak shape for GEM diffractometer
  
-Contributed by: Bill David at Denver topas meeting+Contributed by: Originally by Bill David at Denver topas meeting, updated by John Evans January 2012 
 + 
 +Original wifd_mic macro is included at the bottom of the page for legacy reasons. ​ Suggest using the wifd_mic_new macro instead. ​ This (January 2012) corrects a scaling inconsistency between the code and the manual. ​ It should help convergence of tof peak shapes. ​ In the specific example I tested the two peak shapes give equivalent fits in minimum. 
 + 
 +<code topas> 
 +macro wifd_mic_new(two_theta,​two_thetav,​tspow,​tspowv,​tauf_0,​tauf_0v,​tauf_1,​tauf_1v,​taus_0,​taus_0v,​taus_1,​taus_1v,​t_eff,​t_effv,​hhh,​hhhv,​double_pulse,​double_pulsev) { 
 +   ​local ​ !two_theta two_thetav 
 + prm tspow   ​tspowv min 1.5 max 5.5    
 + prm tauf_0 ​ tauf_0v min 0.001         
 + prm tauf_1 ​ tauf_1v min 0.01          
 + prm taus_0 ​ taus_0v min 0.001         
 + prm taus_1 ​ taus_1v min 0.001         
 + prm t_eff  t_effv min 90.0            
 +   prm hhh  hhhv min .001  
 +   prm double_pulse ​ double_pulsev min 0.001 
 + local ​ !lam = 2 D_spacing Sin(0.00872664626 two_theta) ​ ; 
 + 
 + ​ user_defined_convolution = X^tspow Exp(-X / (tauf_0 + tauf_1 lam ));  
 +   min 0 max = 10 (tauf_0 + tauf_1 lam ); 
 + 
 + local !storage = Exp( -950 /(t_eff lam^2)) hhh;  
 +        push_peak  
 +                hat = double_pulse ;  
 +                scale_top_peak = (1-storage);​  
 +        bring_2nd_peak_to_top  
 +                exp_conv_const = -Ln(0.001) / (taus_0 + taus_1 / lam^2);  
 +                scale_top_peak = storage; ​   
 +        add_pop_1st_2nd_peak  
 +
 +</​code>​
  
 <code topas> <code topas>
Line 34: Line 63:
 Some untested/​caveat emptor parameters to get you going for the 6 banks on gem are: Some untested/​caveat emptor parameters to get you going for the 6 banks on gem are:
  
-<code topas>wifd_mic(two_theta,​ 9.39, tspow, 1.69318`, tauf_0, 0.90835`, tauf_1, 0.93684`, taus_0, 0.02931`, taus_1, 0.00584`, t_eff, 262.61851`, hhh, 0.19861`, double_pulse,​ 0.86794`)   ​ +<code topas> 
-wifd_mic(two_theta,​ 17.98, tspow, 1.69318`, tauf_0, 0.90835`, tauf_1, 0.93684`, taus_0, 0.02931`, taus_1, 0.00584`, t_eff, 262.61851`, hhh, 0.19861`, double_pulse,​ 0.86794`)   ​ +local !bank_two_theta 91.3 
-wifd_mic(two_theta, ​34.96, tspow, ​1.69318`, tauf_0, 0.90835`, tauf_1, 0.93684`, taus_0, 0.02931`, taus_1, 0.00584`, t_eff, 262.61851`, hhh, 0.19861`, double_pulse,​ 0.86794`)  ​  +wifd_mic_new(two_theta, ​=bank_two_theta;​!tspow, ​3.34670!tauf_0, 1.13998!tauf_1, 1.07527!taus_0, 0.02876!taus_1, 0.01314!t_eff, ​234.52357!hhh, 0.02063!double_pulse,​ 0.07775)    
-wifd_mic(two_theta,​ 63.62, tspow, 1.69318`, tauf_0, 0.90835`, tauf_1, 0.93684`, taus_0, 0.02931`, taus_1, 0.00584`, t_eff, 262.61851`, hhh, 0.19861`, double_pulse,​ 0.86794`)  ​  +</​code>​   ​
-wifd_mic(two_theta,​ 91.3, tspow, 1.69318`, tauf_0, 0.90835`, tauf_1, 0.93684`, taus_0, 0.02931`, taus_1, 0.00584`, t_eff, ​262.61851`, hhh, 0.19861`, double_pulse,​ 0.86794`)    +
-wifd_mic(two_theta,​ 154.4, tspow, 1.69318`, tauf_0, 0.90835`, tauf_1, 0.93684`, taus_0, 0.02931`, taus_1, 0.00584`, t_eff, 262.61851`, hhh, 0.19861`, double_pulse,​ 0.86794`)</​code>​   ​+
  

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