CORRECT.LP: Difference between revisions

553 bytes added ,  5 September 2012
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  NUMBER OF UNIQUE ACCEPTED REFLECTIONS              173398
  NUMBER OF UNIQUE ACCEPTED REFLECTIONS              173398


Why is there a discrepancy between "total 515976 173389" ''versus'' "NUMBER OF ACCEPTED OBSERVATIONS 516002", and "NUMBER OF UNIQUE ACCEPTED REFLECTIONS 173398" ?? The reason is that the higher numbers ''include'' even those reflections with I<3*sigma(I), whereas the numbers in the table refer only to those reflections which should be used downstream (for phasing and refinement). Indeed, XDSCONV filters out observations with I<-3*sigma(I).
Why is there a discrepancy between "total 515976 173389" ''versus'' "NUMBER OF ACCEPTED OBSERVATIONS 516002", and "NUMBER OF UNIQUE ACCEPTED REFLECTIONS 173398" ?? The reason is that the higher numbers ''include'' even those reflections with I < -3*sigma(I), whereas the numbers in the table refer only to those reflections which should be used downstream (for phasing and refinement). Indeed, XDSCONV filters out observations with I<-3*sigma(I).
It should be noted that the alien rejection controlled by [http://xds.mpimf-heidelberg.mpg.de/html_doc/xds_parameters.html#REJECT_ALIEN= REJECT_ALIEN=] (default 20) will be performed after making this table. So the number of reflections which you will get from XDSCONV is not the same as reported here. If you want to see the statistics of reflections which will be converted by XDSCONV (thus will be used for further process), you should prepare REMOVE.HKL to explicitly specify the reflections which will be thrown away and run CORRECT step again.


At the bottom of CORRECT.LP we find:
At the bottom of CORRECT.LP we find:
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