PDSFit is a software that allows the extraction of inter-spin distance distributions and, in some cases, angular distributions from primary time traces acquired by pulsed dipolar EPR spectroscopy (PDS). This data analysis is performed via the model-based simulation or fitting of the time traces, using a parametrized geometric model of the spin system and a parametrized model of the PDS background. The features that determine the application field of PDSFit are listed below:
• PDSFit can be applied to time traces acquired with the pulsed electron-electron double resonance (PELDOR or DEER) and relaxation-induced dipolar modulation enhancement (RIDME) techniques.
• PDSFit can be applied to the time traces with or without orientation selectivity.
• PDSFit can be applied to spin systems consisting of up to two spin centers with (highly) anisotropic g-factors.
• PDSFit can be applied to spin systems with nonzero exchange coupling if the exchange coupling constant falls into the weak exchange limit.
The manual of PDS is available here.
This program can be distributed under the GNU General Public License.
If you use this program, please cite: Dinar Abdullin, Pablo Rauh Corro, Tobias Hett, Olav Schiemann, Magn. Reson. Chem. 2024, 62, 37-60.
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