[cctbxbb] Extracting data from MTZ

David Waterman dgwaterman at gmail.com
Tue Aug 14 03:37:29 PDT 2018

Hi all,

I have a script that extracts Fobs and Fcalc from an MTZ file produced by
Refmac for some analysis. I was just doing this in a trivial way:

      fobs = m.extract_reals("F").data
      fc = m.extract_reals("FC_ALL").data

and this worked fine, until I came across a file with missing observations,
so that the lengths of fobs and fc do not match.

Can anybody advise a better way to do this please? I'm inexperienced with
iotbx.mtz. I don't need anything other than the values of the structure
factors, but I need each element of fobs and fc to contain the equivalent


-- David
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