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.

  • ...