diff --git a/docs/CPU_DATA_ANALYSIS_DECISIONS.md b/docs/CPU_DATA_ANALYSIS_DECISIONS.md index ed5c56e79..c6e7d0927 100644 --- a/docs/CPU_DATA_ANALYSIS_DECISIONS.md +++ b/docs/CPU_DATA_ANALYSIS_DECISIONS.md @@ -314,8 +314,12 @@ Translational NCS changes what the search can tell apart (Read, Adams & McCoy, 2 pseudo-translation, one copy beside a translated twin of itself fits the data as well in a group whose screw axes the translation turns into the chosen group's, so such a choice is left undecided unless the copies, carried into the other group and refined there, fit clearly worse; and where the vector is half -a lattice vector, the placement is compared with every move of itself the vector allows, on the weak -reflections it modulates. +a lattice vector, the placement is compared with every move of itself the vector allows, each refined, +on the weak reflections it modulates, and left undecided only where the best is not ahead of every other +by 3 standard errors of the paired per-reflection difference there. A model of several chains is searched +for as a whole and, side by side, as one chain of each molecule in it: the chains of an experimental model +from another crystal form need not sit in this crystal as they sat in that one, and the whole model's +choice gives way to a chain's where the chain's fits better by the R-free margin. The choice between groups and merges is a hypothesis comparison like §14.5: the candidate the choice falls on has to beat a null of the same model placed from random orientations, and lead the other diff --git a/docs/RUGNUX_CLI.md b/docs/RUGNUX_CLI.md index d09fd2dcc..040f230a3 100644 --- a/docs/RUGNUX_CLI.md +++ b/docs/RUGNUX_CLI.md @@ -313,7 +313,7 @@ serial stills; `fft` (GPU) / `fftw` (CPU) index **de novo** and suit strong rota | `--free-flags ` | Take only the R-free test set of this MTZ or structure-factor mmCIF - e.g. the deposited reflections of the `--model` - for the validation, the refinement and the merged files; nothing else of the file is used, so unlike `-z` it fixes no space group, cell or frame. Taken on the model's axes where the merge matches the file's intensities (`R_FREE_FLAGS=`, see [Free set and model bias](RUGNUX_MODEL_AND_REFERENCE.md#free-set-and-model-bias)) | | `--reference-column