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outputting_publication_quality_plots [2009/09/09 16:11]
johnsoevans created
outputting_publication_quality_plots [2020/07/16 11:29]
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-====== Publication Quality Plots ====== 
  
- 
-There are lots of ways you can output data to produce publication quality plots. ​ We typically use gnuplot (wgnuplot) to do this but you can use excel or any other program. ​ The macros below should give you some ideas: 
- 
-A simple output of obs, calc and difference: 
- 
-<code topas>​macro Rietveld_Plot(filename) 
-{ 
-xdd_out filename load out_record out_fmt out_eqn 
-   { 
-       "​ %11.5f ​ " = X; 
-       "​ %11.5f ​ " = Yobs; 
-       "​ %11.5f ​ " = Ycalc; 
-       "​ %11.5f\n"​ = Yobs-Ycalc; 
-   ​} ​ 
-}</​code>​ 
- 
-Outputting in d-spacing: 
- 
-<code topas>​macro Rietveld_Plot_2th_dspacing(filename) 
-{ 
-xdd_out filename load out_record out_fmt out_eqn 
-   { 
-       "​ %11.5f ​ " = Lam/(2 * Sin(X Deg/2)); 
-       "​ %11.5f ​ " = Yobs; 
-       "​ %11.5f ​ " = Ycalc; 
-       "​ %11.5f\n"​ = Yobs-Ycalc; 
-   ​} ​ 
-}</​code>​ 
- 
-The macro below will output tic marks to a file.  The top macro just creates an xy file with points at y = 0, the second lets you specify the y value. 
- 
-<code topas>​macro Rietveld_Tics_2th(filename) { Rietveld_Tics_2th(filename,​0) } 
-macro Rietveld_Tics_2th(filename,​yposn) 
-{ 
-      phase_out filename load out_record out_fmt out_eqn ​  { 
-       ​ "​%14.5f"​ = 2* ArcSin(Lam/​(2*D_spacing)) * (360/​(2*Pi)); ​ 
-        " %9.2f" ​ = yposn; 
-       ​ "​ %3.0f" = H;  
-         "​ %3.0f" = K; 
-         "​ %3.0f\n"​ = L; 
-      }  ​ 
-} 
-</​code>​ 

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