Hi Antony, > Using xia2 with a reference dataset for both indexing and R-free seems to > work fine, apart from the fact that the resulting mtz file, now contains > R-free labels for reflections that have no observations… i.e. taken from the > higher resolution "reference dataset"; see output below. > > I get essentially the same results using CAD to copy the R-free column > between mtzfiles….
This is exactly what xia2 does, so no surprise there. Does anyone have a neater CAD script which does this? Alternatively I guess it would be the work of an hour or so using CCTBX Python to make it so… if no-one has a neat CAD script I will look at doing this. It is untidy, I don't really like untidy things however I suspect it will make no difference at all - the missing values will be flagged as such so should not mess anything up. Best wishes, Graeme
