Closed dennisbrookner closed 8 months ago
Support error-weighting of F-obs.
Weights are applied to structure factor amplitudes (Fobs) after refinement and prior to the Fourier transform. Weights are computed as:
w=1/(1+alpha*SigF^2/<SigF^2>)
The default is alpha=0, e.g. no weighting. This ensures reverse compatibility. To add weights, supply a different value for --alpha.
--alpha
Currently the --alpha flag is only supported in matchmaps and matchmaps.mr. It may be added to matchmaps.ncs in the future.
matchmaps
matchmaps.mr
matchmaps.ncs
Support error-weighting of F-obs.
Weights are applied to structure factor amplitudes (Fobs) after refinement and prior to the Fourier transform. Weights are computed as:
w=1/(1+alpha*SigF^2/<SigF^2>)
The default is alpha=0, e.g. no weighting. This ensures reverse compatibility. To add weights, supply a different value for
--alpha.Currently the
--alphaflag is only supported inmatchmapsandmatchmaps.mr. It may be added tomatchmaps.ncsin the future.