TheoPlot

The purpose of TheoPlot is to present data in visual way and feedback information to the procedures layer. TheoPlot provides features for visualization and some simple data processing of the data.

TheoPlot has two panels, top one for TIC (total ion current) chromatographic data  and bottom one for MS (mass-spectrum) spectrum they both have similar control. The three long button on the right side are for opening additional tabbed menus for Chrom, Mass or common. If the user presses Chrom or Mass Button with the right mouse button the respective panel becomes hidden, but all the data are intact.

The principal features are available through the toolbar on the left and include:

•  Unzoom button – retrieve full view of the spectrum
•  AutoY – if on, when the user zoom the Y scale is adjusted automatically.
•  Zoom – Zoom and Range to button are alternative. Zoom mode is for zooming the spectrum by press and drop mouse routine. With the right mouse user can move the spec by drag&drop.
• The range mode allows the user to select one or more regions (ranges) which will be presented in the other panel. When the user press the left mouse button and drag along the spec the respective area is selected. If user press and release the left mouse button, only single mass is selected, if during single mass selection the user hold Shift button the value under round green marker is selected. If the user double click within a peak the whole peak is selected. If the user hold Ctrl button when selected the new range list is set (the old one is deleted).
• Table button – shows the values of the spectrum (and peaks if the option is on) in a table(s), On the top of the tables there are two pairs of buttons for saving / copying tables in file / clipboard.
• Smoothing button provides smoothing of the spectrum with desired factor. Standard method is similar to that used in GRAMS, first derivative method is fast and versatile, but gives no peak boundaries, the last one (adaptive) readjust peaking by the mass scale. 
• Baseline correction subtracts a baseline replacing the value under the threshold with value 1. The auto option is trying to calculate the baseline level using simplified GIFTS algorithm (linear, two-steps)
• Peaking button labels the peak value of the spectrum; there are three different modes of peaking – standard (similar to GRAMS), first derivative and adaptive. The last one is adaptive to the X-scale of the chart and shows different number of peak when the user zooms.

The user can adjust range, smoothing, baseline and peaking parameters from a secondary tabbed panel which appears when the right long button is pressed. Any change of any parameter is immediately takes effect, so the user can adjust them following the changes they cause. The tabbed options on the right appear when the user presses smoothing, baseline or peaking with the right mouse button.

TheoPlot component is based on TeeChart graphics component by Steema Software SL.