Help for calibration setup.


The macro will be started from the [addon] menu in "DataAnalysis".
Select: [Addon] + [NewCalibration].
At this moment the software will ask to allow a alredy existing caliration table.


DataAnalysis will switch to "Spectral Tools" and a new table appears in the right lower corner of the screen.

Load the MSD part of the calibration file.
Select a MS-Spectrum. It will be shown in the left lower part of the screen.
A mass-peak can be selected by holding the [Shift] key down an click with the mouse poiter on the mass-peak.
The macro will extract this ion form the TIC and draw the peak in the chromatogram window.
That can be done in "seperate" or "overlay" mode.
The first selected peak will always be the "Target Ion".
Three more qualifier ions can be selected.
The integration parameter have to be set before. An Ion can only serve as Target or Qalifier Ion
if an integrated peak was fount at the correct retention time.
The compound table gives an indication if a peak of a ECI was integrated or not.
No other ions can be selected if the Target Ion peak could not be integrated.
Indicator is a "no peak"in the Ratio column.
A not integrated peak can be removed directly from the compound table by using the [Delete] key.

Add the Compound Name (cell Value)and the Amout (cell Amount)
in to the compound table before selecting the button [Next Cpd].
The compound list will be cleared for the next compound.

Select [Save/Exit] after all comounds have benn qualified.
This will close the compound table and load all selected ions.
The software opens then the screen for a new calibration table. Select if the signals should be 
calibrates seperatly or not.

The macro imports then all the specified names and amounts and it will set Target ions to "Main"
and Qualifier Ions to "Qualifier".
The method is now calibrated and you might now save it.



Buttons:

[New Cpd]    Saves the current settings and clears the table for the next compound.
[Prev. Cpd]  Shows the previous compounds. The button : New Cpd" changes to "Next Cpd".
[Save/Exit]  Saves all compounds to a register, loads the selected ion chromatograms.
             The software will now fill the data in to the calibration table.
[Clear]      Clears the compound table without saving the parameter.
[ZoomOut]    Zooms the speatra graph out to the original size.
[Cancel]     Closes the compound table without saving the parameter.
[Help]       Prints this help file to the screen.