LongDistances
A LabVIEW program to determine distance distributions from the dipolar evolution data of a DEER experiment.
(Movie is for an older version and looks cosmetically different)
NEWS: An article about the LongDistances program has been published in the EPR newsletter Vol. 31, Number 2, pages 12-13 (2021) of the International EPR Society. Please download and read it. It gives a good introduction. (While this article is published in the annual free issue, consider joining the IES to get access to all editions and other benefits.)
Features:
Full interactive control over all aspects of fitting
Automatic or interactive zero point determination (infinite resolution)
Automatic or interactive background determination using plain Tikhonov regularization as criterion.
Instant Tikhonov regularization update with any parameter change
Non-negative Tikhonov regularization (default) or plain Tikhonov regularization
Choice of background models (1D, 2D, 3D, variable-D, linear, quadratic, none.)
Interactive data preparation (trimming, phase)
Automatic or interactive phase correction or fitting of phase independent magnitude data.
Extremely fast algorithms (e.g. calculation of a new kernel matrix in sub-milliseconds).
Model-free fitting (direct Tikhonov regularization for preview, highly optimized refinement on demand)
Model based fitting (up to 6 lineshape components with full control over all shape parameters)
Co-fitting of background.
Optimization (L-curve, etc.) and automatic determination of optimal regularization parameter.
Optional excitation bandwidth correction (simulation and analysis)
Error analysis and confidence bounds.
Data browser with preview feature.
Built-in simulation feature to generate any imaginable simulated data for algorithm validation.
Simulation can realistically expose the inherent limitation of the method (e.g. data too short, s/n, etc.).
Results browser for comparing any number of previously analyzed results. (planned feature)
Highly parallel algorithms with full support for multiple CPU cores.
Rich full-page print output with full documentation of all aspects of the analysis and settings
ASCII files export for external use.
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