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
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