pkienzle
Check fasta calculations
Results for fasta sequence sld estimates differ from those for the Bio SLD calculator.
See https://github.com/SasView/sasmeta/issues/3
Provide syntax for deuteration.
For labile H we need exchange percentage (default 90%) for the protein and D₂O percentage for the solvent (default 0%). For non-labile H we need deuteration percentage (default 0%). All three percentages can be present for the same material.
Perhaps x %D y %D2O z %exch? A little confusing since %wt and %vol are used in the context of (x %vol A // y % B // C).
[Note: moved to #35]
See also https://github.com/SasView/sasview/issues/1847
[Note: moved to #71 ]
Differences are described in detail in https://github.com/SasView/sasmeta/issues/3. No further checking of the calculations is required here, though there may be some more tickets produced as a result of the discussion therein.