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On Thu, Mar 24, 2011 at 12:55 PM, Bryan Lepore
test =1 work = anything except for 1
but the work set (when assigned by Phenix) is 0.
then if the test set has numbers other than 1 or 0 (e.g. from ccp4 - see link below) i take this to mean they are neither work nor free (i.e. Kleywegt's R_sleep) ... IIUC....
No: - If there are only two values in the R-free column, it will use whichever is less common as the test set. For Phenix (or CNS), this will mean 1 is test, 0 is work, but you could reverse this and it will still figure out what to do automatically. (SHELXL uses work=1, test=-1, but Phenix should be fine with this too.) - If there are more than three values in the R-free column, and the values are a continuous integer range, it will default to using the minimum value as the test set, and everything else is the work set. - Just based on looking at the code, it looks like it will not handle R-free columns with exactly three values. Not sure why this is. I don't think it's currently possible to flag a set of reflections as neither work or test, although this might be a good idea for the future. -Nat