Hi Francis, Also it's not desirable to create a _refine_data.mtz as it's unclear where
the experimental phase labels came from the first place. Suppose I'm doing iterative rounds of MRSAD (with updated models during model building), I may have several AutoSol directories containing MRSAD runs for updated models. How am I going to know where the HL's in *_refine_data.mtz came from? (grepping .def files?)
The full file names should be in the .eff file. It may be useful to somehow store them in the mtz file, too. I'll keep it in mind.
It would be easier if the .def's contained the full paths of the original .mtz files and not a phenix combined data file. I may have my original reflections in one mtz, an R-free set in another, experimental phases in another, etc.
That's exactly why I decided to consolidate all inputs in one central file. In addition, you need some place to store newly generated R-free flags. Ralf