The Genesis peak detection algorithm is the original Thermo Scientific Xcalibur peak detection algorithm and provides backwards compatibility with Xcalibur 1.0 data system studies. Use the Genesis peak detection to specify peak identification criteria and peak integration criteria that the Genesis algorithm applies to chromatograms in the Chromatogram view.
Procedure
- Open the Peak Detection page (see Display the Peak Detection page)
- In the Peak Detection Algorithm area, select the Genesis option from the Select Algorithm dropdown list, and then specify the appropriate parameter settings.
The following figure shows the parameters for the Genesis peak detection algorithm.
The following table describes the parameters for the Genesis Peak Detection page.
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 | |
Percent of Highest Peak | Specifies a percentage threshold to limit the number of peaks that is submitted for further processing. The algorithm discards any detected peak that has an intensity less than the threshold percentage of the most intense peak. Range: 0.0–100.0; default: 10.0 |
Minimum Peak Ht (S/N) | Specifies the minimum S/N that a peak must equal or exceed to be detected. The algorithm ignores all chromatogram peaks that have S/N values that are less than the minimum peak height S/N value. Range: 1.0 (all peaks) to 999.0; default: 2.0 |
S/N Threshold | Specifies the threshold for detecting peak edges. The algorithm calculates the S/N by using the baseline signal. It excludes any extraneous or minor detected peaks from the calculation. Range: 0.0–999.0; default: 2.0 |
Valley Detection Enabled | Detects unresolved peaks. The valley detection approximation method drops a vertical line from the apex of the valley between unresolved peaks to the baseline. The intersection of the vertical line and the baseline defines the end of the first peak and the beginning of the second peak. |
Expected Width (sec) | Specifies the expected peak width (in seconds). This value controls the minimum width that a peak must have (if you selected the Valley Detection Enabled option) to be detected. With valley detection selected, the algorithm ignores any valley points that are closer to the top of the peak than a value that is equal to the expected peak width divided by 2. When the algorithm finds a valley point outside the expected peak width, it terminates the peak at that point. The algorithm always terminates a peak when the signal reaches the baseline, independent of the value set for the expected peak width. Range: 0.0–999.0; default: 0.0 |
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 turns off by specifying a peak height threshold and a tailing factor. |
Peak Height (%) | Specifies how much above the baseline (as a percentage) a signal must be (relative to the total peak height) 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 | |
RMS | Calculates noise as 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. |
Peak to Peak | Calculates noise as a peak-to-peak value. |
Manual Noise Region | Specifies a region of the chromatogram that the peak detection algorithm uses to determine noise. See Select the manual noise region for ICIS algorithms. |
RT Range | Specifies the RT range that the algorithm uses to determine noise. The RT range must be within the chromatogram range. |
Baseline Noise Tolerance (%) | Specifies a percentage value that controls how the algorithm draws the baseline in the noise data. The higher the baseline noise tolerance value, the higher it draws the baseline through the noise data. Range: 0.0–100.0; default: 10.0 |
Min Number of Scans in Baseline | Specifies the minimum number of scans that the algorithm uses to calculate a baseline. A larger number includes more data in determining an averaged baseline. Range: 2–100; default: 16 |
Baseline Noise Rejection Factor | Specifies the baseline noise rejection factor. This factor controls the width of the RMS noise band above and below the peak detection baseline. The algorithm applies this factor to the raw RMS noise values to raise the effective RMS noise that the algorithm uses during peak detection. It responds by assigning the left and right peak boundaries above the noise and, therefore, closer to the peak apex value. This action effectively raises the peak integration baseline above the RMS noise level. Range: 0.1–10.0; default: 2.0 |
Peak S/N Cutoff | Specifies the S/N level that the algorithm defines as the top of the peak edge. For example, if the S/N level at the apex is 500 and the Peak S/N Cutoff value is 200, the algorithm defines the right and left edges of the peak when the S/N reaches a value less than 200. Range: 50.0–10 000.0; default: 200.0 |
Rise Percentage | Specifies how much above the baseline the trace can rise (as a percentage) after passing through a minimum inflection point in the trace (before or after the peak). If the trace exceeds this value, the algorithm applies valley detection peak integration criteria. It applies this test to both the left and right edges of the peak. The rise percentage criterion is useful for integrating peaks with long tails. Range: 0.1–500.0; default: 10.0 |
Valley S/N | Specifies the S/N criterion that the algorithm uses for valley detection. Range: 1.0–100.0; default: 1.0 |
Background Recomputation (min) | Specifies the background recomputation interval (in minutes). The algorithm periodically recalculates the representative background scan it uses for background subtraction to compensate for the possibility that the composition of the background might change over the course of a run. The background recomputation interval is the time interval between these recalculations. Range: 0.5–10.0; default: 5.0 |
Number of Scans in Background | Specifies the number of background scans the algorithm uses to determine the background. Range: 2–100; default: 5 |