Evaluation of timed group parameters

If the Include identified peaks check box is not selected in the timed group definition, the group results only include the results for the unknown peaks found within one or more time regions. If selected, results for identified peaks are also taken into account.

If the Quantify each peak individually check box is not selected in the timed group definition, the individual peaks that belong to the group are not quantified. Only area, height, and scaled response are available as individual peak results, but not the amount or concentration. If selected, each peak in the given time region is quantified with the group calibration parameters. Selecting or clearing this check box does not change the group results.

Conflict resolution

Conflicts may occur if a peak belongs to several groups, or if identified peaks are quantified as part of the group. In these cases, the following rules apply:

  • If an unknown peak belongs to several groups, and calibration parameters including calibration levels are defined for both groups: The peak is reported several times, but always with the same amount. It is quantified only one time.

    The peak is quantified with the parameters of the group with the smallest expected retention time. If both groups have the same expected retention time, the last created group is used.

  • If an identified peak is quantified as part of the group, but has its own calibration parameters defined, it is quantified with its own parameters and not with the group parameters.

  • If an identified peak is quantified as part of the group and has no specific calibration parameters defined, the compound is quantified with the group parameters. The response type (area or height) of the group is used.

  • If an identified peak is the internal standard (ISTD) of this group, and the group parameter Include identified peaks is set, the response of this peak will be subtracted from the timed group response.

Quantitation with scaled responses

In the Injection Results window, the Scaled response column shows the response of each quantified peak. If the group's calibration curve is not scaled, the scaled response equals to the peak area or height.

The group's scaled response is calculated as the sum of the scaled responses of the individual peaks that are included in the timed group. The group calibration and quantitation are based on this sum of scaled responses

Area and height of the timed group are also summed values, but they are only calculated if no scaling is applied to the response values.