getting unmerged scaled data from dials.scale

[wojdyr]

I'm trying to summarize how to output scaled unmerged data from various scaling programs/pipelines:
https://strucbio.biologie.uni-konstanz.de/ccp4wiki/index.php?title=Scaled_unmerged_data_files

I think in case of dials.scale one should use dials.export, but I don't know the details. Could you write me in 1-2 sentences what the user should do to get scaled unmerged MTZ?

Is DUI also providing interface for scaling?

[rjgildea]

Exporting a scaled unmerged MTZ is as simple as

dials.export scaled.refl scaled.expt

as described in the tutorial:
https://dials.github.io/documentation/tutorials/processing_in_detail_betalactamase.html#exporting-to-unmerged-mtz

[jbeilstenedmands]

There is also the option to output this directly from dials.scale, using the optionunmerged_mtz= with a filename, which will output this in addition to the usual dials datafiles
e.g. dials.scale symmetrized.expt symmetrized.refl unmerged_mtz=scaled_unmerged.mtz

[dagewa]

Regarding DUI: yes it can run scaling with dials.scale. It appears that the unmerged_mtz option is not accessible there, so there is only one way to get a scaled MTZ, which is by running the export step. This does indeed produce an unmerged MTZ.