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.
 
back to index