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fourier_maps [2020/07/16 11:29]
127.0.0.1 external edit
fourier_maps [2021/05/12 16:13] (current)
rowlesmr3 doubled up the comment command to help with the automatic syntax colouring
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 <code topas> <code topas>
 macro Out_Inflip(file) macro Out_Inflip(file)
-' Prints a superflip input file to generate a difference Fourier map in xplor format +' Prints a superflip input file to generate a difference Fourier map in xplor format' 
-' that can be viewed in Chimera +' that can be viewed in Chimera' 
-' The command ​ '​superflip file' will then produce a diffmap_phasename.xplor file+' The command ​ '​superflip file' will then produce a diffmap_phasename.xplor file'
 { {
  out file  out file
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  "​%4.0f" ​  = K;  "​%4.0f" ​  = K;
  "​%4.0f" ​  = L;  "​%4.0f" ​  = L;
- ​ "​%15.4f" ​ = ((A01-B11)/​Sqrt((A01-B11)^2+(B01+A11)^2)) * (Sqrt(Iobs_no_scale_pks/​(M*Get(scale))) - Sqrt((A01-B11)^2+(B01+A11)^2));​ 'A Fdiff + ​ "​%15.4f" ​ = ((A01-B11)/​Sqrt((A01-B11)^2+(B01+A11)^2)) * (Sqrt(Iobs_no_scale_pks/​(M*Get(scale))) - Sqrt((A01-B11)^2+(B01+A11)^2)); ​ 'A Fdiff' 
- ​ "​%15.4f" ​ = ((B01+A11)/​Sqrt((A01-B11)^2+(B01+A11)^2)) * (Sqrt(Iobs_no_scale_pks/​(M*Get(scale))) - Sqrt((A01-B11)^2+(B01+A11)^2));​ 'B Fdiff+ ​ "​%15.4f" ​ = ((B01+A11)/​Sqrt((A01-B11)^2+(B01+A11)^2)) * (Sqrt(Iobs_no_scale_pks/​(M*Get(scale))) - Sqrt((A01-B11)^2+(B01+A11)^2)); ​ 'B Fdiff'
   }   }
         out file append         out file append

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