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Running the small molecule tutorial data has flagged up small issues with the options in dials.two_theta_refine to output cell parameters (and their esds) in p4p and CIF format.
Running the small molecule tutorial data has flagged up small issues with the options in
dials.two_theta_refine
to output cell parameters (and their esds) in p4p and CIF format.The result of
is:
but in
scaled.p4p
the esds for a and b have been lost:and in
scaled.cif
something odd has happened to gamma although it is correctly listed with no esd:The text was updated successfully, but these errors were encountered: