How to edit and update a quantitation table

How to open an existing table

The table below describes how to open an existing quantitation table for editing in the Evaluation module.

Step

Action

1

Select Quantitate:Edit Quantitation Table:Open.

Result: The Open quantitation table dialog box opens.

2

Select a quantitation table from the Quantitation table(s) list.

Note: By default the list will show the quantitation tables that are globally available. Click the Personal radio button to display the tables that are restricted to your own user ID.

3

Click OK.

Result: The Quantitation table dialog box opens.

Note: Quantitate includes an update function that can be used to add new peak size data to an existing quantitation table in a simplified way. This function does not allow you to redefine components in the Define Component(s) dialog box.

The update function

The update function can be used to add new peak size data to an existing quantitation table. This enables precision to be improved through the use of data from a number of standard runs. It also simplifies the process of renewing the calibration curves before each analysis.

Note: The injection volume must always be the same for the new run as it was for the previous standard runs.

The Update Quantitation Table dialog box

The illustration below shows the Update Quantitation Table dialog box.

How to prepare the calibration curve for updating

The table below describes how to open the function and prepare the calibration curve for updating.

Step

Action

1

Perform a peak integration for the new run and save the result.

2

Select Quantitate:Edit Quantitation Table:Update.

Result: The Update Quantitation Table dialog box opens.

3

  • Select the Personal radio button if the table is located in your personal folder.

  • Select the quantitation table that is to be updated in the Quantitation table field.

4

  • Double-click the result file in the Select peak table list to access the new data.

  • Click the Current button if you want to use the result file that is open in the Evaluation module.

5

  • Select the chromatogram on the Source chromatogram list.

  • Select the peak table that contains the new data in the Peak table(s) list.

6

  • Select the level you wish to update on the Level list.

  • If the selected quantitation table is based on concentration, verify or edit the Inj. Volume field.

  • Click OK.

Result: The Update Calibration Curve dialog box opens.

See "How to update a calibration curve" below.

The Update Calibration Curve dialog box

Data on the selected components for the curve to be updated are shown in the Component name table. When a component is highlighted, its calibration curve is displayed above in the Calibration curve before update field.

The calibration curve to be updated is shown without taking the new point into consideration. A new point is shown either in green or red. If it is green, the area falls within the set Limit (+/-) value and this point will be used for calculation of the new calibration curve, instead of the old point. If it is red, it falls outside this range.

How to update a calibration curve

Peak size deviation

The Deviation column of the Update Calibration Curve dialog box shows how much the peak size for the proposed new point differs from the existing size. The Limit (+/-) column displays the set limit for the deviation. The default value is +/- 12.5% of the existing peak size. You can edit the Limit (+/-) value. Use the Deviation and limit as radio buttons to specify if both of these columns are expressed in Absolute or Relative (%) units.

Instruction

The table below describes how to use the Update Calibration Curve dialog box for calibration curve updates.

Step

Action

1

Choose to update by Average or by Replace. The same selection applies to all components.

See explanations for the options below this table.

2

Select each component table rows in turn and check that the new point falls within acceptable limits.

3

Click the Statistics after update button.

Result: The Statistics after update dialog box opens.

4

  • Use the statistical data to check the curve model.

Note: The old non-updated calibration curve is still shown, but the statistics apply to the data after the update. If the new point is red, the statistics shown will be those for the old curve.

  • Click OK to close the Statistics after update dialog box.

5

Repeat steps 2-4 for each component.

6

Click OK.

Result: The Update report dialog box opens. This report provides a summary of the proposed update so that you can assess its viability. See illustration below.

7

  • Click the Print button for a print-out of the Update report.

and/or

  • Click Save or Save as to save the updated table.

Update by Average

The Average option means that the average area value is calculated from the old point (representing the average of the old points at this level) together with the new point. The green point represents the new average value and not the position of the point from the new peak table.

Update by Average may be used if you want to increase the precision of the calibration curve by performing several runs at each level.

Update by Replace

The Replace option means that the old point (representing the average of the old points at this level) will be replaced with the new point shown in green. The data for the old point can then not be recovered.

Update by Replace may be used to simplify the process of renewing the calibration curve before each analysis. Instead of manually producing a new quantitation table, you may renew an existing table by running all standard levels again and updating the table with Replace. The old data will then be deleted.

The Update Report dialog box

The illustration below shows the Update Report dialog box.

Features

The list below describes some features of the dialog box.

  • Components that will not be updated are shown in the column Updated area (or Updated ratio if an internal standard is used) with the text Out of limit.

  • The column Averaged replicates shows the number of points used to calculate the average area value. After each update by Average, the number is increased by one. After an update by Replace, the number will be one.

  • Nominal reference retention shows the retention for the reference peak in level 1:1.

  • Update reference retention shows the retention for the reference peak in the new peak table.

How to rename a quantitation table

The table below describes how to rename an existing quantitation table.

Step

Action

1

Select Quantitate:Edit Quantitation Table:Rename.

Result: The Rename quantitation table dialog box opens.

2

  • Select Personal to display the quantitation tables that are restricted to your own user ID, if needed.

  • Select the quantitation table you wish to rename on the Quantitation table(s) list.

  • Click in the Quantitation table name text box and type a new name.

  • Click the Rename button.

  • Click the Close button.

Note: You must have Edit global list(s) rights to be able to rename a global quantitation table.

How to delete a quantitation table

The table below describes how to delete an existing quantitation table.

Step

Action

1

Select Quantitate:Edit Quantitation Table:Delete.

Result: The Delete quantitation table dialog box opens.

2

  • Select Personal to display the quantitation tables that are restricted to your own user ID, if needed.

  • Select the quantitation table you wish to delete on the Quantitation table(s) list.

  • Click the Delete button.

  • Click the Yes button to confirm.

  • Click the Close button.

Note: You must have Edit global list(s) rights to be able to delete a global quantitation table.

2005-06-15