Visualization – Chromatogram viewer

If the mouse is hovered over the painting canvas a crosshairs cursor is rendered, whereupon the current time and intensity is displayed in the two text fields on the right side of the canvas (e.g. “t = 23.33” and “Int = 7.456e6”). The third text field indicates the m/z value of the chromatogram. With +/- Gain the displayed intensity range can be zoomed, and with “<<” and “>>” it is possible to shift the currently zoomed time range. If a peak is quantified and stored it is displayed in red, if it is just quantified and not stored it is displayed in green. If the right mouse button is clicked under a curve the displayed popup menu appears with the following options:

- Determine Area: detects a peak area with the standard ASAPRatio algorithm.
 
- Determine Area (Col): detects a peak area with the MASPECTRAS algorithm that integrates over local maxima.
 
- Determine Area (Greedy): sets the peak borders at sudden changes in the steepness of the curve.
 
- Determine Area (3D): 3D algorithm for more accurate peak border confinement.
 
- Delete Area: deletes a quantified area.
 
- Enter probe borders: manually define the borders of the peak:

The peak can be defined in 2D or 3D mode. In 2D mode the chromatogram is used and just the start- and stop time has to be entered. For the 3D mode, the m/z values have to be entered, and an ellipse is fitted through these values.

In the right menu of the chromatogram viewer the following options are available:

- Isotope: Switches between the chromatograms of the different isotopes.
 
- Raw/Smooth: Toggles between the raw and the smoothed version of the chromatogram (smoothed is the default one).
- t[min], t[max] and Zoom in: This is for zooming the time axis. With t[min] and t[max] the display range is defined and with “Zoom in” the settings are used for the viewer. After zooming the << and >> buttons can be used.
 
- Zoom all: zooms the time axis out again.