Peak Editor
Analysis condition defaults for metal stoichiometry factors can be set using the sample information metal table editor. Stoichiometry factors can also be set for each pulse chemisorption experiment using the analysis conditions experiment step editor. If required, stoichiometry factors for a completed pulse chemisorption experiment can be viewed and modified using the peak editor’s stoichiometry settings window. |
The Peak Editor feature provides the viewing and editing of up to 16 dynamic analysis experiments. The Peak Editor options are accessed by opening a Completed sample file and selecting a "Peak Editor" entry from the drop-down menu at the bottom of the report window. Peaks can be defined, edited, or deleted.
Peaks are defined by a baseline. If the Find All Peaks button is clicked (enabled when Edit Peaks is selected), the Peak Editor will define baselines for all positive peaks detected according to the Integration window accessed from the Integration button.
Peak Editor View
When a sample file with a Complete status is opened, three views are available:
- Overlay Experiments View
- Stacked Experiments View
- Peak Editor
To change the view, select the view from the drop-down list at the bottom of the graph window. Only the Peak Editor view allows editing of the experiment.
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Example of
Overlay Experiments view |
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Example of
Stacked Experiments view |
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Example of
Peak Editor view |
Selections | Description | ||
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Calibration [button] |
Calibration. Select a previously defined calibration file. If the experiment and calibration gases differ, a warning displays. The system also compares the experiment flow rate and calibration flow rate. If they differ, a warning displays. Experiment Information
Create Calibration. Create a signal calibration from the currently selected experiment. |
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Delete [button] |
Clears all peaks from the table and removes all markings from the peaks. To delete a single peak, select the peak from the peak table or left click the peak to enable the Delete Peak button.
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Delete Baseline [button] |
Removes the baseline from the graph. Available only when the Fit Peaks selection is enabled. |
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Display Options [group box] |
Use to change how the data are displayed. Zero. Select to zero the signal (starting baseline). Invert. Select to invert the signal (peak). Hide Peak Marks. Select to hide all marks from peaks. Smooth. Select to smooth the signal on the display.
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Find All Peaks [button] |
Defines baselines for all positive peaks detected according to the Integration window, accessed via the Integration button. Find All Peaks automatically detects the peaks and draws the baseline for detection. Place the cursor over one of the baseline end points and double left click to grab the baseline. Move the cursor to the new position and right click. Available only when the Edit Peak selection is enabled. |
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Gaussian [drop‑down box] |
Standard Gaussian curve. Available only when the Fit Peaks selection is enabled. |
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Import M.S. [button] Remove M.S. [button] |
Mass spectrometer data can be imported and overlaid in the Overlay Experiment view. In the Peak Editor view, it is saved as a separate signal. Import M.S. Click to import mass spectrometer data. In the bottom right-hand corner of the pop-up window, select the type of mass spectrometer file to import (Quadera, Quadstar, MKS, or TAMS). Select the file, then click Open to import the signals. A popup window prompts the user to sync the temperature data with the current experiment temperature data. Remove M.S. Click to remove all previously imported mass spectrometer signals from the current experiment. |
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Import standard peaks [button] |
Imports the saved peak parameters from the Edit Peaks view. Available only when the Fit Peaks selection is enabled. |
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Integration Options [button] |
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Interpolation [button] |
Interpolate Temperature. Select to interpolate the temperature. Click Range to specify a temperature range. Slide the blue bars on the graph to indicate the range.
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Log Normal Skewed [button] | A 4-parameter, log-normal shape that allows for skewed peaks. This is the default peak. Available only when the Fit Peaks selection is enabled. | ||
Peak fit model [button] |
Select the peak shape. Available only when the Fit Peaks selection is enabled. Options include: Gaussian, Lorentzian, Pearson type VII, Pseudo-Voight, and Log Normal Skewed (3 and 4). |
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Sample mass [text box] |
Calculates the mass-specific quantities. Initial value is taken from the sample information at the start of the analysis. |
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Snap to Signal [button] |
Places the selected baseline point on the signal curve. | ||
Stoichiometry [button] |
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View Type [group box] |
Edit Peak. Locates peaks via signal integration over a baseline. Fit Peaks. Locates peaks via function fitting to minimize residual over a baseline. |
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