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Main Menus
The following menus are at the top of the main window.
File menu
- Inputfile
Popup panel to enter the filename of an inputfile or to select an inputfile with the "file browser" (starting the "file browser" for the first time can take a wihle). The inputfile requires a certain format. The arguments and values for each calculation has to be in a single row separated by wihtespace in a certain order:
pulse-sequence (keywords: inadequat or postC7); symmetry (shortcut for the used pulse sequence e.g. "C-1-3-2" for the
-sequence; the shortcut has thothing to do with symmetry and can by figured out by selecting the pulse sequence once in the "Select sequence"-menu) dephasing-ratio (point separated number); error-dephasing-ratio (point separated number); dephasing-time (point separated number); (additional for the postC7 keyword) excitation-time (point separated number) see figure.
Figure 2:
Inputfile for the DoDeCalculator
![\includegraphics[width=\textwidth]{Inputfile.ps}](img5.png) |
Lines starting with # are commands. After pushing the OK-Button the DoDeCalculator calulates the Dipolar coupling constant [Hz], the Error [Hz] and the Max. dipolar coupling constant [Hz]. The Values are written into the outputfile with the extention .out placed in the same directory as the inputfile. Zhe format of the outputfile is given in the headline.
- Calulate
The Calulate-button can be used in two ways. Either the Dipolar coupling constant [Hz], the Error [Hz] and the Max. dipolar coupling constant [Hz] is calculated out of the values in the input-panel (Dephasing ratio, Error in the dephasing ratio, Dephasing time and optional Excitation time) or the Dephasing ratio is calculated out of the values from the entry-widgets Dipolar coupling constant [Hz], Dephasing time and optional Excitation time (attention the entry-widget Error in the dephasing ratio has to contain a value!). After pushing the Calculate-Button data in the entry-wiggets gets processed.
- Start wizard
Starts the quick wizard. This wizard shows you the first steps to run a normal calculation.
- Exit
Exit from the DoDeCalculator
Plot menu
- Plot Graph
Figure 3:
Popup panel that displays the graph (Dephasingratio vs. Dipolar coupling constant [Hz]).
![\includegraphics[width=0.7\textwidth]{plot.ps}](img6.png) |
Popup panel that displays the graph (Dephasingratio vs. Dipolar coupling constant [Hz]) calculated out of the data in the input- and result-panel (see figure). So its necessary to calculate the Dipolar coupling constant once befor plotting the graph. The button Plot actual point displays the actual culculated point (Dephasingratio, Dipolar coupling constant) with the appropriate error. Its also possible to display futher culculated points, by changing the Dephasingratio calculating the related Dipolar coupling constant and ploting the actual point. You can zoom into the graph by selecting the area with the left mouse button pressed. To return to the original view click with the left mouse button into the graph. To mark a special point and show his coordinates double click into the Graph. You can export the current as PostScript(tm) plot by pressing the button Export as EPS.
- Outputfile
Popup panel to enter the filename of an created outputfile to select an outputfile with the "file browser" (starting the "file browser" for the first time can take a wihle). If an inputfile was processed the outputfilename appears automatically. After pushing the OK-Button a new popup panel appears that displays the the calculated pionts (Dipolar coupling constant [Hz] vs. Depahasing time) for each line in the outputfile. You can zoom into the graph by selecting the area with the left mouse button pressed. To return to the original view click with the left mouse button into the graph. To mark a special point and show his coordinates double click into the Graph. You can export the current as PostScript(tm) plot by pressing the button Export as EPS.
Help menu
- Open documentation
Opens this html help site
Next: Pulse sequence Panel
Up: Detailed decription of the
Previous: Main window
Contents
Philipp von den Hoff
2007-03-13