Hi Peter No, don't bother scaling in hkl2000.
Just take the .x files and read them into Pointless directly - it should auto-detect the file type and any output reflection file from it will be in MTZ format. Then Aimless can do the scaling. See the manual, e.g. https://www.mrc-lmb.cam.ac.uk/harry/pre/pointless.html for details. You should be able to do this in ccp4i2 as well. If you use the already merged reflections for reindexing, there's a chance that reflections that are not equivalent will have been merged. Harry -- Dr Harry Powell Chairman of European Crystallographic Association SIG9 (Crystallographic Computing) > On 10 Jan 2018, at 18:58, Peter Hsu <hsuu...@u.washington.edu> wrote: > > Just to be absolutely clear about my approach to doing this, I should scale > in HKL2000 as an unmerged set, and then take the unmerged scalepack, convert > to mtz and run through pointless? > > Also, would taking my current mtz (which is a merged dataset) work using the > reindex program in CCP4? Are there any pitfalls I need to be aware of? > > Apologies for the ignorance. > > Thanks, > Peter
