Easily output merged MTZ

ccp4 / DUI

CCP4 DIALS User Interface

GNU General Public License v2.0

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Easily output merged MTZ #179

Closed dagewa closed 3 years ago

dagewa commented 3 years ago

DUI does not make it very easy to get a merged MTZ, so CCP4 users are having to run an Aimless "only merge" job after getting scaled.mtz from DUI for downstream steps. A simple solution would be to add another checkbox to the export task to perform merging if scaled intensities are selected .

jbeilstenedmands commented 3 years ago

Another option would be checkboxes for the dials.scale job, as both the unmerged and merged mtz files can be generated there too.

dagewa commented 3 years ago

This is true, but the DUI workflow kind of pushes the user towards an explicit export. Whether that is right or not is debatable...