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dac_abs_correction [2014/04/25 08:06]
martin_fisch created
dac_abs_correction [2014/04/25 08:12]
martin_fisch
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 ====== DAC_Abs_Correction ====== ====== DAC_Abs_Correction ======
-Description: ​A+Description: ​Absorption correction for diamond anvil cell data. Corrects intensity decrease with increasing 2-Theta due to longer beam paths through diamonds.
  
-Comment: ​by default topas puts limits on values ​of uij - it's often more useful ​to know if something goes npd+Comment: ​Actually not a macro, the structure ​of diamond in included with a scale factor of zero to get the correct value for u_per_cm_diamond for any given wavelength.
  
-Contributed by: Alan Coelho+Contributed by: Martin Fisch
  
-<code topas>macro adp_no_limits +<code topas> 
-+scale_pks ​Exp( u_per_cm_diamond * ( 1 1/Cos(Deg * 2 * Th)))
- move_to u11 min Val .05; max = Val + .05; +str 
- move_to u22 min = Val .05; max = Val + .05+phase_name "​Diamond"​ 
- move_to u33 min = Val - .05; max = Val + .05; +Cubic(3.56672) ​   
- move_to u12 min = Val - .05; max = Val + .05; +scale 0 
- move_to u13 min = Val .05; max = Val + .05; +space_group "Fd-3mS" 
- move_to u23 min Val - .05max = Val + .05; +prm u_per_cm_diamond ​(Get(phase_MAC) * 1.6605402 Get(cell_mass) / Get(cell_volume));:  2.08944 
-}+site C x 0 y 0 z 0 occ C 1 beq 1
 </​code>​ </​code>​
  
  

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