LongDistances

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A LabVIEW program to determine distance distributions from the dipolar evolution data of a DEER experiment.

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.) 

Note:  Movie is for an older version and looks cosmetically different. The current version has much richer features!

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.

• ...