SolnScat
For each SolnScat term (using SAXS, WAXS or SANS data), the following quantities are reported:
- RMS - root mean square deviation between calculated
- and observed
- Devia - deviation between different ensemble memebrs.
This is only nonzero for EnsembleSimulation calculations with Ne>1. It is calculated as
Dev^2 = 1/Ne 1/Nk sum_i sum_j w_j * (I_ij-I_j)^2
where Nk is the number of datapoints and all values of I are normalized by calcdScale, and multiplied by globCorrect.
- Chi^2 - A Chi^2 value is calculated based on the
- assumption that the weights are 1/sigma_i^2, where sigma_i is the error in the observed value of I_i.
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