Xdscc12: Difference between revisions

14 bytes removed ,  13 April 2022
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To find out about the influence of the ''a'' and ''b'' parameters of the XDS/XSCALE-adjusted error model, you may try the <code>-w</code> option; this assigns the same sigma to all reflections. Likewise, the [https://en.wikipedia.org/wiki/Fisher_transformation Fisher transformation], which serves to make changes in CC<sub>1/2</sub> comparable across resolution ranges, may be switched off for testing purposes, with the -z option.
To find out about the influence of the ''a'' and ''b'' parameters of the XDS/XSCALE-adjusted error model, you may try the <code>-w</code> option; this assigns the same sigma to all reflections. Likewise, the [https://en.wikipedia.org/wiki/Fisher_transformation Fisher transformation], which serves to make changes in CC<sub>1/2</sub> comparable across resolution ranges, may be switched off for testing purposes, with the -z option.


== Example output with explanation ==
== Example output ==
<pre>
  xdscc12 KD 2020-12-9. Academic use only; no redistribution. -h option shows options.
  xdscc12 KD 2020-12-9. Academic use only; no redistribution. -h option shows options.
  Please cite Assmann, G., Brehm, W., Diederichs, K. (2016) J.Appl.Cryst. 49, 1021-1028
  Please cite Assmann, G., Brehm, W., Diederichs, K. (2016) J.Appl.Cryst. 49, 1021-1028
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   no option -w found, therefore statistics are weighted by sigma values
   no option -w found, therefore statistics are weighted by sigma values
   no option -z found, therefore delta-CC1/2 values are Fisher-transformed
   no option -z found, therefore delta-CC1/2 values are Fisher-transformed
<pre>
   reflection file is temp.ahkl
   reflection file is temp.ahkl
  !SPACE_GROUP_NUMBER=   19
  !SPACE_GROUP_NUMBER=   19
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   frequency, i.e. number of unique reflections in resolution shells:
   frequency, i.e. number of unique reflections in resolution shells:
      493    887   1134   1345   1501   1649   1808   1921   2061   2187
      493    887   1134   1345   1501   1649   1808   1921   2061   2187
 
   headings for lines starting with a,b,c:
   headings for lines starting with a,b,c:
  a:  <CC1/2> of each dataset:
  a:  <CC1/2> of each dataset:
2,684

edits