I should also comment the matrices, in addition to the other comments. Edward, I also have a question to line 75: where does the factor 2 come from? that was not in the original version. I don't see what it does. I think it should not be there.
| 70 |
# Initialise some structures.
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| 71 |
Rr = -1.0 * matrix([[r20b, 0.0],[0.0, r20a]]) # This is the matrix that contains only the R2 relaxation terms ("Redfield relaxation", i.e. non-exchange broadening) |
| 72 |
Rex = -1.0 * matrix([[kge, -keg],[-kge, keg]]) # This matrix contains the exchange terms between the two states G and G |
| 73 |
RCS = complex(0.0, -1.0) * matrix([[0.0, 0.0],[0.0, fg]]) # This matrix contains the chemical shift evolution. It works here only with x magnetization, and the complex notation allows to evolve in the transverse plane (x, y) |
| 74 |
R = Rr + Rex + RCS # This is the matrix that contains all the contributions to the evolution, i.e. relaxation, exchange and chemical shift evolution |
| 75 |
cR2 = conj(R) * 2.0 # This is the complex conjugate of the above. It allows the chemical shift to run in the other direction, i.e. it is used to evolve the shift AFTER a 180deg pulse. |
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Re: numerical cpmg fit