Re: [cctbxbb] Extracting data from MTZ

Thanks! common_sets is what I wanted of course. Then fc.amplitudes().data() is comparable to fobs.data() Cheers -- David On Tue, 14 Aug 2018 at 11:54, [email protected] < [email protected]> wrote:

HI David

dials/command_line/rfactor.py contains some useful hints - you want to work with miller arrays and common sets

All the best Graeme

...

On 14 Aug 2018, at 11:37, David Waterman wrote:

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 values.

Thanks

-- David _______________________________________________ cctbxbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/cctbxbb

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