routines based on easyspin version 6.0 (MathWorks Inc)
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Routines Based On Easyspin Version 6.0, supplied by MathWorks Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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![Orientational DEER study of Cu 2 -[3] at Q-band. (a) Echo-detected field-swept ESR spectrum (black) and simulation (red) using the Matlab® <t>EasySpin</t> routine (pepper function), with spin Hamiltonian parameters: g = [2.041, 2.051, 2.191], A 65 Cu = [72, 89, 639] MHz and l w = [2, 2] mT. The field positions used to record the DEER traces are indicated with vertical lines. (b) Background-corrected and modulation depth-normalised DEER traces acquired at the different field positions (colour) and corresponding orientation-dependent fits (black). Modulation depths were ∼2–3% before normalization in all cases. (c) Distance distributions obtained from the orientation-dependent analysis of the DEER (black) and LITTER (red) datasets. In each case the center-to-center distribution of distances are plotted as dashed lines and the point dipole distribution of distance distribution calculated from pairwise distances of atoms possessing spin density on different chromophores is shown as a solid line. (d) DFT-optimised geometry showing the different positions of the CuTPP centre most contributing to the fit as gey spheres, relative to the g -tensor frame of the other CuTPP (arrows: red = g x , green = g y , blue = g z ). The diameter of the spheres is proportional to the number of times a single conformation contributes to the complete fit shown in panel (b). A rotated view is provided in Fig. S11 (ESI ). The TPP centre positions from have been included for comparison (red).](https://pub-med-central-images-cdn.bioz.com/pub_med_central_ids_ending_with_3979/pmc10793979/pmc10793979__d3cp03454b-f3.jpg)