Solve

Sub-menu Solve:

 

It allows:

   Select among the best R% trials

   Re-compute trial

   Develop new trials

   Simulated Annealing

Select among the best R% trials


The best
n trials (i.e. the trials with the lowest values of the crystallographic residual) have been stored in the project file. In default n is equal to 5 for electron diffraction data, equal to 1 otherwise.

By means of this menu item the user can view and restore the model corresponding to the selected trial.

 

Re-compute trial


The following window allows to re-compute phases for a (previously explored) trial. It is possible to select the starting phases procedure (MDM Patterson or VLD) and to define the final steps of Direct Space Refinement (see
Description of Sir2019, Phase Module).

Develop new trials


When the solution is not satisfactory, the user can explore new trials defining the
Solving Strategy, threshold on R% and number of trials to explore.

 

Simulated Annealing


The dialog of Simulated Anneling in Sir2019 is described
here.

Previous page                        Next page