CCL INTEGRATE failure to determine standard deviations #74
Reference in New Issue
Block a user
Delete Branch "%!s()"
Deleting a branch is permanent. Although the deleted branch may continue to exist for a short time before it actually gets removed, it CANNOT be undone in most cases. Continue?
Sometimes the fit algorithm fails to determine estimated standard deviations.
the program should
a) do a check, if any estimated standard deviation for a given fit is NAN,
b) in this case shift the initial peak position by 0.1 deg and refine once more
There are a few edge cases to consider here:
What, I think, might be better is to highlight scans that don't have a good fit on the UI, so seeing and fixing them manually would be more convenient. I don't think that we can reach 100% automated fit quality, so proceeding without a manual check won't be possible anyways.
Another suggestion is to refine the fitting constrains. For example, I noticed that we don't impose any restriction on
sigmafor peak-like functions. However, it would make sense to set: min = 0. Maybe there are other rules we can initially set that can be applied for all data.