The ICIS peak detection algorithm is the default algorithm that the application uses for MS data, and it has superior peak detection efficiency at low MS signal levels.
Use the ICIS peak detection of the Info Bar to specify peak detection and integration criteria. The application applies the peak detection algorithm to the active plot or to all the plots in the Chromatogram view. For more information, see Detection and integration of chromatographic peaks.
NOTE
To undo all changes made to this page and to revert to the previously applied changes, select .
Procedure
- Open the Peak Detection page (see Display the Peak Detection page).
- In the Peak Detection Algorithm area, select the ICIS option from the Select Algorithm dropdown list, and then specify the appropriate parameter settings.
The following figure shows the parameters for the ICIS peak detection algorithm.
The following table describes the parameters for the ICIS peak detection algorithm.
Parameter | Description |
---|---|
Apply To All Plots checkbox | Applies the current chromatogram peak identification and integration settings to all displayed plots. To apply the criteria to only the active plot, clear this option. |
Reset button | Restores the default settings. |
Apply button | Applies the chromatogram peak identification and integration settings to the selected peak. |
Peak parameters | |
Baseline Window | Specifies the number of scans the peak detection algorithm uses for determining the minimum baseline for the peak. A higher number of scans means a wider scan range, resulting in a lower baseline. Range: 1–500; default: 40 |
Area Noise Factor | Specifies the noise level multiplier that the peak detection algorithm uses to determine the peak edge after the location of the possible peak. Range: 1–500; default: 5 |
Peak Noise Factor | Specifies the noise level multiplier that the peak detection algorithm uses to determine the signal threshold of a potential peak. Range: 1–1000; default: 10 |
Constrain Peak Width checkbox | Limits the peak width of a component during the peak integration of a chromatogram. You can then set values that control when peak integration turns on and off by specifying a peak height threshold and a tailing factor. |
Peak Height (%) | Specifies how much above the baseline (as a percentage) the total peak height of a signal must be before integration turns on or turns off. Range: 0.00–100.0; default: 5 |
Tailing Factor | Specifies a factor that controls how the algorithm integrates the tail of a peak. This factor is the maximum ratio of the trailing edge to the leading edge of a constrained peak. Range: 0.50–9.0; default: 1 |
Advanced | |
Manual Noise Region | Specifies a region of the chromatogram that the peak detection algorithm uses to determine noise. See Select the manual noise region. |
RT Range | Specifies the RT range that the algorithm uses to determine noise. The RT range must be within the chromatogram range. |
Noise Method | ICIS peak detection uses one of these two algorithms for signal-to-noise ratio (S/N) estimation:
|
RMS | Calculates noise as a root mean square (RMS). The algorithm uses the peak-to-peak method for the noise calculation. When you determine the noise region manually, the algorithm automatically selects RMS. |
Min Peak Width | Specifies the minimum number of scans required in a peak. Range: 0–500; default: 3 |
Multiplet Resolution | Specifies the minimum separation in scans between the apexes of two potential peaks. This criterion determines if two peaks are resolved. Range: 1–500; default: 10 |
Area Tail Extension | Specifies the number of scans past the peak endpoint that the application uses in averaging the intensity. Range: 0–100; default: 5 |
Area Scan Window | Specifies the number of scans on each side of the apex that the application includes in the integration area. Range: 0–100; default: 0 NOTE Zero scans means that the algorithm includes all scans in the integration area, from the start to the end of the peak. |
Pharmacopoeia S/N | |
Pharmacopoeia S/N calculation | Specifies a calculation that overwrite the signal to noise calculation from ICIS peak detection settings. For more information, see Appendix: Pharmocopoeia S/N. |
Time span multiply factor | Specifies the factor (n) for multiplying the peak width at half height to calculate the time interval. For more information, see Multiple of time span method. |
NOTE
For any unsaved changes in the Chromatogram Range dialog box, the application displays a confirmation prompt while performing chromatogram peak detection.