The Peak List view lists both the chromatogram peaks that the peak detection algorithm automatically finds and the peaks that you manually add.
Procedure
- Apply the ICIS peak detection algorithm (see Detection and integration of chromatographic peaks).
The following figure shows examples of the Peak List view.
| No. | Description | No. | Description |
|---|---|---|---|
1 | Detected peaks | 2 | Peak List view |
The following table describes the parameters for the Peak List view.
Parameters | Description |
|---|---|
Column command | Displays the Column dialog box, where you can select the fields to appear in the peak list (see Show or hide columns). |
Index | Unique identification number for each chromatogram peak. The index increments from the lowest RT to the highest RT in a trace, and from the top trace to the bottom trace. |
Name | Compound name, which comes from the instrument method. NOTE For some Thermo Scientific mass spectrometers, for example, the Triple Quadrupole product line, the instrument method that you use for data acquisition includes a table where you can associate a compound name with each scan filter. When you view the scan filters on the Scan Filters page, the associated compound names appear next to the scan filter. You cannot edit the names in the Data Viewer application. |
RT (min) | Retention time (in minutes) corresponding to the apex of the peak. |
RT (Sec) | Retention time (in seconds) corresponding to the apex of the peak. |
Start RT | Retention time corresponding to the start of the chromatographic peak, where the detection signal increases beyond the threshold criteria. |
End RT | Retention time corresponding to the end of the chromatographic peak, where the detection signal decreases below the threshold criteria. |
Base Peak | The m/z of the most abundant ion at the apex of the peak. The Peak List view displays 0.00 if no mass spectral data is present. |
Peak Area | Area of the peak (in units of counts x seconds). Displayed in either general or exponential format. |
Peak Height | Number of counts at the peak apex. Displayed in either general or exponential format. |
PWHH | Peak width at half height. This is used for the pharmacopoeia S/N calculation. |
Baseline Width | Difference (in minutes) between the RTstart and RTend. |
Signal to Noise | S/N ratio of the integrated peak. |
File Name | Displays the path and name of the raw data file. |
Scan Filter | Displays the filter applied to the injection or the raw data file. The application autosenses the metafilters (including SRM or compound filters) in the injection or the raw data file in this order: MS, MS2, ETD, HCD, and then the individual scan filter list. NOTE For data files with more than one MS/MS order, enter MSn to include all the fragmentation data. For grouped filters, the Scan Filter dropdown list displays only the first filter in the group. The Spectrum view displays the actual filter for the scan. For descriptions of valid scan filters, see Appendix: Scan filters and scan headers |
Trace ID | Number that identifies the chromatogram trace. The Trace ID increments from the top trace to the bottom trace. |
% Area | Peak area as a percentage of the total peak area. |
% Height | Peak height as a percentage of the total peak height. |
Integration Method | Displays the integration method: ICIS, Genesis, Avalon, PPD, or manual. |