Calculation
Sets the method of calculation display. When invoked by the menu command or via the icon, the Method Setup - Calculation dialog will open. When utilizing a multi-detector chromatogram, the tab will be common to all signals.
Name of the calibration file. Any chromatogram measured according to this method will be calibrated with it.
Note:
When selected calibration file from the current project (stored in Calib subdirectory) a relative file path is used, otherwise is used an absolute file path. After changing or copying the method file to different location (e.g. different Project), its necessary to update the path to calibration file.
Displays calibration file in the Calibration window.
Note:
The View command is contained in what is known as the modal window and, therefore, the Calibration window is displayed only under the Method Setup dialog. For a full display, you must close the Method Setup dialog using OK or Cancel button.
Selects a calibration file.
Creates a new, empty calibration. By using this button the Save As dialog opens. It is possible to select the name and location of the calibration file there.
Creates a copy of a current calibration file. By using the Save As dialog you can select the name and location of the calibration file. The copy will then be linked to the method.
Note:
If the new calibration should not contain responses from the original file, they can be deleted by using the Clear Responses checkbox in the Save As dialog.
None
Closes a calibration file. The calculation type is changed to uncalibrated - Uncal.
Selects a calculation type:
Uncalibrated calculation not using a calibration file. The integration result is a percentage share of individual compounds in the chromatogram.
External standard method. The result (in Amount column) is calculated using the calibration equation of particular compound from the Response value of that compound.
Internal standard. The result (in Amount column) is calculated using the calibration equation of particular compound from the Response value of that compound, modified by a ratio of responses of internal standard between an unknown sample and standard.
This calculation type performs the calculations identically to the ESTD calculations according to the actual calibrations settings with added validity check. The chromatogram is checked to make sure that all integrated peaks are calibrated or have Amounts calculated in other way, and the whole chromatogram's Amount value must be empty (0). No results and warning message in Result Table header are given in opposite case. It means that Peak Type would be Error and Amount% zero.
Standard Addition calculation. The result amounts of compounds in an unknown sample are calculated based on standard addition calibration curve by extrapolation of the calibration curve to point with Y coordinate equal to zero. The results are displayed in absolute values.
Caution:
Each new unknown sample will need a new calibration file - use of the Calibration Cloning In Sequence function is highly recommended when the STDADD calculation is performed.
Name of the user who created the calibration.
Informative description of calibration.
Date of calibration creation in the respective directory.
Caution:
When copying or moving an arbitrary file, the Created field contains the date of this copy or move.
Date of last modification.
Determines which peaks will be displayed (and their values summed in the Total line) in the result table when calibrated calculations are in use.
Note:
When the Calculation item is set to Uncal, this section will be inactive (dimmed).
The peaks identified as an internal standards will not be shown in the results table.
All chromatogram peaks will be displayed.
Only peaks identified in the calibration file will be displayed.
All peaks from the calibration file will be displayed regardless of how many peaks the chromatogram contains and how many were identified. This is known as the fixed table format as is made by the number of peaks in a calibrated file.
Auxiliary calculation parameters. To utilize these, do not forget to select the Use Scale Factor checkbox.
Note:
When the Calculation item is set to Uncal, this section will be inactive (dimmed).
Permits the use of Scale Factor Units and Units After Scaling parameters.
All values in the Amount [x] column in the result table will be multiplied by this value.
Units for scale application. In the result table the original units adopted from the calibration file are replaced by units defined here.
Handles the behavior of unidentified peaks present in the chromatogram.
Note:
When the Calculation item is set to Uncal, this section will be disabled).
Selects the response base (Area/Height) for unidentified substances.
Coefficient for calculating the Amount of unidentified substances. The quantity is determined as the Response Base of a peak multiplied by this coefficient. This is basically an artificial single-point calibration.
Calibration Cloning In Sequence
Sets the name for cloned calibration files used in the Standard Addition calibration method and during the Calibration Bracketing. The field enables the use of any text, however it is recommended to use variables (added using the button) appropriate to the calibration method. For more details on the variable types and functions, see the chapter "Chromatogram File Name"
Note:
It is advantageous to use the Sample ID (%q) as a part of the variable for the Standard Addition measurements, where all lines belonging to one sample (Unknown, possible Blank, all Standards on other levels of the same sample) share the same Sample ID in the Sequence window. For the Calibration Bracketing, the use of Date and Time (in any format) as a part of the Calibration Cloning In Sequence field may be advantageous. For Safe Calibration Usage, the use of Date (%D) variable as a part of the cloned calibration name is advantageous.