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DeltaCC12: Difference between revisions
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== Example == | == Example == | ||
An example is shown for a very simplified data file. Only two frames/crystals are looked at and the diffraction pattern also consists only of two unique reflections with | 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. | ||
<pre> | <pre> | ||
First reflection with 6 observations: | |||
2 0 0 9.156E+02 3.686E+00 1532.7 1573.4 0.4 0.04149 1 | 2 0 0 9.156E+02 3.686E+00 1532.7 1573.4 0.4 0.04149 1 | ||
0 2 0 5.584E+02 3.093E+00 1532.7 1516.6 0.7 0.04129 1 | 0 2 0 5.584E+02 3.093E+00 1532.7 1516.6 0.7 0.04129 1 | ||
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0 2 0 2.584E+02 3.093E+00 1532.7 1516.6 1.7 0.04129 2 | 0 2 0 2.584E+02 3.093E+00 1532.7 1516.6 1.7 0.04129 2 | ||
0 0 2 7.301E+02 2.405E+01 1570.7 1562.9 1.9 0.02624 2 | 0 0 2 7.301E+02 2.405E+01 1570.7 1562.9 1.9 0.02624 2 | ||
</pre> | |||
<math>x_{i} </math> , the average intensity of all observations from all frames/crystals of this reflection = 669.6999 | |||
<pre> | |||
Second reflection with 6 observations: | |||
1 1 2 2.395E+01 8.932E+01 1558.2 1508.9 0.4 0.05239 1 | 1 1 2 2.395E+01 8.932E+01 1558.2 1508.9 0.4 0.05239 1 | ||
1 2 1 9.065E+01 7.407E+00 1539.1 1507.3 0.2 0.05473 1 | 1 2 1 9.065E+01 7.407E+00 1539.1 1507.3 0.2 0.05473 1 | ||
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2 1 1 1.608E+01 2.215E+01 1519.8 1516.6 1.3 0.04126 2 | 2 1 1 1.608E+01 2.215E+01 1519.8 1516.6 1.3 0.04126 2 | ||
</pre> | </pre> | ||
<math>x_{i} </math> , the average intensity of all observations from all frames/crystals of this reflection = 52.5150 | |||