Layout

(NOTE: These pictures below are relatively old and some details differ from the current version.)

Figure 1: The result of the model free fitting algorithm is shown in red. The expected result is shown in white. The inverse problem is solved perfectly and the expected result is fully recovered in under a second.

(The best direct Tikhonov regularization result is shown in purple and fails for longer distances due to the limitations of the method. It also shows oscillation artifacts with some negative probabilities. It is still useful to aid in background determination because it is fully interactive (milliseconds to recompute kernel and perform regularization)).

Figure 2: A view of the 2D regularization kernel used. Any trace can be inspected by sliding the green cursor. It is easy to tell if we undercut the Nyquist frequency based on the point spacing. By default, close distances that would produce alias frequencies are excluded automatically.

Figure 3: After pointing to a folder, all existing Bruker files are listed. Clicking any file previews the data (and any previous result of the same dataset if they exist). Double-clicking will load the data into the program and do an instant preliminary analysis, to be refined later by interactive data trimming, zero point determination, and background determination. (In this case we are looking at the sample "DEER_mix_50k" file that ships with DeerAnalysis 2013.

Figure 4: The background tool.

The zero time point and baseline can be optimized automatically. They can also be adjusted interactively by moving the cursors. The direct Tikonov regularization is updated in real-time to aid in the manual settings.

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