File

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Possibilities offered by the sub-menu File shown on the left; some of these can be accessed directly using icons in the main toolbar.




New

A new  input file is created.

Load & Go

An old  input file is opened and the run started; input file can be edited.

Old Project

An old  project (.BIN)  file is opened.

Recent Projects

The selection among the 5 most recent projects is allowed.

Load Examples

Some examples are provided.

Import

Data in different format can be imported.

Export

Files for different programs are created.

Save

The project binary file or the model can be saved ( .SAV or .MDL extension).

Restore

A previously saved project file or model is restored.

View output file

Provide access to the output file.

Summary

Main results are summarized.

Hard Copy

Create an image file of the program window.

Exit

Terminates the program.



New


A sequence of windows helps the user to set up an input file for the program. In these windows the user has to supply the information required, click on the button Accept and check the results in the yellow text area at the bottom of the window. As soon as the data have been accepted, the next window will be accessible.


In the first window the user can select the working directory, assign a name to the structure or recover a previously created New Project file and supply a title string.



In the second window the user can select the space group symbol from a list, write it or its number in International Tables directly in the entry field.

If the user is not sure about the space group, it is possible to search for a possible space group (Search for Space Group) or to apply the program to all the most probable ones (Scan all possible Space Groups).

By clicking on Accept button the program will define the crystal family and provide the corresponding default values. Errors on cell parameters and on volume are optional.




In the third window the user provides the unit cell content. The values for Delta f', f" and Wave Length are optional. In the following example electron diffraction area used, so "Electron data" has to be checked.



In the fourth window information about reflections has to be provided. Details about the possibilities offered in this window can be obtained looking at Directives: Data Routine.   To define correctly the Format information, a preview Window can be activated by clicking on    button.



The fifth window requires information about the phasing procedure. Details about the possibilities offered in this window can be obtained looking in Description of Sir2014: Phase module or in Directives: Phase Routine.



The last window informs the user that an input file is going to be created. The user, by clicking on button, can save the input file for Sir2014




At this stage, the user can edit the input file just created, can start the program on this file or quit.




Load & Go


The file selection window will be opened in order to select the input file (.sir). The selected file can be edited using an internal editor.



Old Project


The file selection window should be opened in order to select an old project file:



Recent Projects


The program stores the name of the 5 most recent projects opened by the program. The user can select among them.




Load Examples


The file selection window will be opened in order to select the  input file provided as example.




Import


Data from files in different format can be imported:






Export


Sir2014 can produce files for different programs or applications:




Save


The current project file or model is saved. It could be restored, in case of troubles, using the Restore feature



Restore


A previously saved project file or model is restored.



View Output File


It can be used to view the output file during the program run.




Summary


Starts the Internet Browser on a page containing a summary of the results.



Hard Copy


An image file (PNG) is created with the program window content.



Exit


This is used to exit the program.


All relevant information will be stored and saved in the project (.BIN) file:





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