Solve

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The sub-menu Solve is shown on the left. It allows: .





Map Viewer

Start Jav loading the current model and the related map.

Contour

2D contour facility.

Select among the best R% trials

Select and recover the model among the lowest R% trials.

Re-compute trial

Re-compute the atomic model using a previous trial.

Develop new trials

Develop new trials.

Simulated Annealing

Start the Simulated Annealing procedure.





Map Viewer


Start Jav on the map computed using the phases related to the selected trial. If a model is avaible, it will be included in the plot.  For details see the help on-line of Jav.







Contour


Start the 2D contour procedure on the map computed using the phases related to the selected trial.






Manage contouring levels.

Set limit & graphic resolution.

Show / Hide atomic model.

Show / Hide unit cell.

Magnify the plot.

Un-magnify the plot.

Let the plot fit the drawing window.

Project plot on the plane normal to a.

Project plot on the plane normal to b.

Project plot on the plane normal to c.

Plot previous section(s).

Plot next section(s).

Plot more than one section per time.

Show / Hide grid.

Credits.



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 Sir2014, 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 Sir2014 is described here.

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