ESR Spectrometers
- Pulsed, FT and 2D-FT ESR spectrometer operating at 9 and 17 GHz: Dedicated mainly to PDS (Pulse-Dipolar Spectroscopy)
(RA: Peter Borbat)
- State-of-the-art 2-18 GHz pulsed and 2D-FT ESR spectrometer: Dedicated to 2D-ELDOR
(RA: Peter Borbat)
(Nearing completion)
- 35 GHz Pulsed, FT, and 2D-FT-ESR Spectrometer: Dedicated mainly to PDS
(RA: Peter Borbat
- 95 GHz high-power pulsed, 2D-FT ESR, and cw spectrometer with low-temperature VTI
(RA: Curt Dunnam)
- 93 GHz Pulsed ESR spectrometer: Mainly for micro-samples
(RA: Curt Dunnam)
(Nearing completion)
- 170/240 GHz ESR cw spectrometer
(RA: Curt Dunnam)
- Bruker cw-ESR EMX spectrometer with X-Band bridge: For standard ESR experiments
(RA: Curt Dunnam)
- Bruker cw & pulse spectrometer operating at 9 and 35 GHz: For PDS, ENDOR, and other standard ESR experiments
Additional;
- workstations for theoretical simulation of ESR spectra;
- wet chemistry and biochemistry lab for sample preparation, synthesis;
- electronics and machining facilities.
Downloadable Software
We have a number of useful programs available for FTP downloading. They are available here as ZIP files.
This software includes: (links presently under construction)
| |
Software |
Function |
Programming Language |
Accessibility |
| 1. |
NERD |
Removes noise from cw-ESR and ENDOR data to greatly improve their signal-to-noise ratio. |
Python |
Webserver and GUI * |
| 2. |
WavPDS |
Removes noise from PDS data to greatly improve their signal-to-noise. |
Python |
Webserver and GUI * |
| 3. |
1D SF-SVD |
Reconstructs distance distributions between nitroxide spin labels to determine protein structure from 1D PDS experiments. |
Python |
Webserver and GUI * |
| 4. |
2D SF-SVD |
Reconstructs distance distributions between nitroxide spin labels to determine protein structure from 2D PDS experiments. |
Python |
Webserver and GUI * |
| 5a. |
nlsl.MOMD |
Performs non-linear least squares fitting of slow motional CW ESR spectra to the microscopic order macroscopic disorder (MOMD) model |
Fortran |
downloadable package |
| 5b. |
nlsl.SRLS |
Performs non-linear least squares fitting of slow motional CW ESR spectra to the advanced slowly relaxing local structure (SRLS) model |
Fortran |
downloadable package |
| 5c. |
EPRLL |
Simulates slow motional CW spectrum for dynamics studies with nitroxide labels. |
Fortran |
downloadable package |
| 6. |
lsld2 |
Performs non-linear least squares fitting of CW saturation spectra to the MOMD model |
Python + Fortran 90 |
downloadable package * |
| 7a. |
nlspmc |
Performs non-linear least squares fitting of 2D ESR spectra to the MOMD model |
Fortran |
downloadable package |
| 7b. |
srls2d |
Performs non-linear least squares fitting of 2D ESR spectra to the SRLS model |
Fortran |
downloadable package * |
| 8a. |
nlspmc_resolvents |
Extends nlspmc to ultra-slow motional rates and includes dynamic exchange between conformers |
Matlab |
downloadable package * |
| 8b. |
sle_acert |
Python API for generating SLE matrices relevant to 1D and 2D ESR spectra |
Python + Fortran 90 |
downloadable package * |
Every effort has been made to ensure that these programs are correct and thoroughly tested. However, the programs are distributed "AS IS", and all warranties, whether expressed or implied, as to correctness or fitness for any specific purpose are specifically disclaimed. In no event shall the authors be liable for any direct, consequential or incidental damages arising from the use of these programs. Free use and distribution of these programs is permitted with suitable reference to the original publication (see above) in any published work resulting from the use of these programs or programs derived from them. The programs may be copied and distributed, so long as, 1) due credit is given by retaining the comment lines at the beginning of each source file in all copies; and 2) all copies must be distributed free of charge.
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