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CORRECT.LP: Difference between revisions
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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'' | 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 ''below'' the table ''include'' observations (and unique 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 those unique reflections which have 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. | |||
It should also 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: | ||