CC1/2: Difference between revisions

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235 bytes removed ,  6 September 2018
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== Example ==
== Example ==
An example is shown for a very simplified data file (unmerged ASCII.HKL). Only two frames/crystals are looked at and the diffraction pattern also consists only of two unique reflections with each three observations for every unique reflection.  
An example is shown for a very simplified data file (unmerged ASCII.HKL).


<pre>
<pre>
First reflection with 6 observations:
First reflection with 6 observations:
     h    k    l      int    σ(int)  #datset
     h    k    l      int    σ(int)   
     2    0    0  9.156E+02  3.686E+00  1  
     2    0    0  9.156E+02  3.686E+00  1  
     0    2    0  5.584E+02  3.093E+00  1  
     0    2    0  5.584E+02  3.093E+00  1  
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     0    0    2  7.301E+02  2.405E+01  2  
     0    0    2  7.301E+02  2.405E+01  2  
</pre>
</pre>
<math>x_{i} </math> , the average intensity of all observations from all frames/crystals of this reflection = 669.6999
<math>x_{i} </math> , the average intensity of all observations of this reflection = 669.6999


<math>\sigma^2_{\epsilon i} </math>, the unbiased sample variance of the mean of all observations of this unique reflection i = 20848.2198 (62544.6597/(n/2))
<math>\sigma^2_{\epsilon i} </math>, the unbiased sample variance of the mean of all observations of this unique reflection i = 20848.2198 (62544.6597/(n/2))
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<pre>
<pre>
Second reflection with 6 observations:
Second reflection with 6 observations:
     h    k    l      int    σ(int)  #datset
     h    k    l      int    σ(int)   
     1    1    2  2.395E+01  8.932E+01  1   
     1    1    2  2.395E+01  8.932E+01  1   
     1    2    1  9.065E+01  7.407E+00  1   
     1    2    1  9.065E+01  7.407E+00  1   
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     2    1    1  1.608E+01  2.215E+01  2   
     2    1    1  1.608E+01  2.215E+01  2   
</pre>
</pre>
<math>x_{i} </math> , the average intensity of all observations from all frames/crystals of this reflection = 52.5150  
<math>x_{i} </math> , the average intensity of all observations of this reflection = 52.5150  


<math>\sigma^2_{\epsilon i} </math>, the unbiased sample variance of the mean of all observations of this unique reflection i = 363.3267 (1089.9803/(n/2))
<math>\sigma^2_{\epsilon i} </math>, the unbiased sample variance of the mean of all observations of this unique reflection i = 363.3267 (1089.9803/(n/2))
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