Models used during validation with combinations of selected software and parameters.
ID | Type | Program | QM | Partitioning | Weighting scheme |
---|---|---|---|---|---|
i | IAM | olex2.refine | — | — | 1/σ2(F2) |
ii | HAR | Tonto | Tonto | Tonto | 1/σ(F) |
iii | HAR | NoSpherA2 | Tonto | Tonto | 1/σ2(F2) |
iv | HAR | NoSpherA2 | ORCA | Tonto | 1/σ2(F2) |
v | HAR | NoSpherA2 | ORCA | Tonto | Shelxl-type |
vi | HAR | NoSpherA2 | ORCA | NoSpherA2 | 1/σ2(F2) |