SpincountSpinCount is a Windows software package that allows quantitative interpretation and simulation of EPR spectra, especially for molecules containing transition metals. SpinCount treats spectral intensities, of both raw data and simulations, on a rigorously quantitative basis. Thus, species concentrations can be determined. More generally, SpinCount will manipulate any number and type of spectra in the form of XY data. Some of the more important simulation features are:
- Calculation of simulated spectra for any paramagnetic mono- or di-nuclear metal cluster.
- The simulations include terms for: odd/even electron systems, spin exchange, distance-dependent dipolar interactions, zero-field parameters, multiple nuclear hyperfine, incident microwave orientations, microwave frequencies, sample temperatures.
- Automated fitting of multiple spectra.
- Single-Valued Decomposition of multiple species
SpinCount can be downloaded from the link given below. To recover some
of the cost associated with creation of the program, there is a charge per
laboratory group to enable generation of simulations in SpinCount. To enable
simulations, please email Mike Hendrich at hendrich@andrew.cmu.edu.
To Install SpinCount:
1. Click on this link to download the installation file:
http://www.chem.cmu.edu/groups/hendrich/spincount/SpinCountInstall.ex1
2. Change the extension of the file name from .ex1 to .exe
3. Run SpinCountInstall.exe
Once SpinCount is operating, help is available through the help menu. Please
send emails to hendrich@andrew.cmu.edu
regarding installation problems.
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