This is an experimental method in the sense that I am unsure if it is useful or a good tools for looking for evidence of symmetry-breaking in reciprocal space.
Regardless, this function computes CCsym, which is the spearman correlation coefficient of the internal differences across a given symmetry operation. For e35, this shows strong, time-resolved signal, which is why this seems like it might be a good metric.
Currently, this function has strong assumptions about how careless was run to get the output. At the moment, it assumes that careless was run in both the reduced-symmetry and the parent spacegroup, which is my current hack du jour.
This is an experimental method in the sense that I am unsure if it is useful or a good tools for looking for evidence of symmetry-breaking in reciprocal space.
Regardless, this function computes
CCsym, which is the spearman correlation coefficient of the internal differences across a given symmetry operation. Fore35, this shows strong, time-resolved signal, which is why this seems like it might be a good metric.Currently, this function has strong assumptions about how
carelesswas run to get the output. At the moment, it assumes thatcarelesswas run in both the reduced-symmetry and the parent spacegroup, which is my current hack du jour.