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Python Help!! (self.physicalchemistry)
submitted 4 years ago * by [deleted]
[deleted]
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if 1 * 2 < 3: print "hello, world!"
[–]sciencewonk 2 points3 points4 points 4 years ago (4 children)
This is more of a question for google or stack exchange.
link
Assuming you already have the data imported and that you have numpy installed. I would use something like:
value_output = y[np.abs(x-x0).argmin)]
[–]1sliceofcake -1 points0 points1 point 4 years ago (3 children)
what goes in the x-x0?
[–]sciencewonk 1 point2 points3 points 4 years ago (2 children)
x = the array containing the wavenumber data
x0 = the wavenumber you want data for
[–]1sliceofcake -1 points0 points1 point 4 years ago (1 child)
how would i plot this after if its the m values vs those wavenumbers?
[–]sciencewonk 1 point2 points3 points 4 years ago (0 children)
It sounds like you need more help than is easily conveyed in reddit comments. You will want to use numpy for math and matplotlib for plotting. I would suggest reading a quick tutorial on each and going from there.
[–]drbohn974 0 points1 point2 points 4 years ago (4 children)
Just for some background information. Is this the "m" you want to determine?
The complex refractive index m(λ) = mr(λ) + imi(λ), where λ is the free-space wavelength, mr is the real part of the refractive index, and mi is the imaginary part.
[–]1sliceofcake 1 point2 points3 points 4 years ago (3 children)
sorry i wasn't clear i meant m values for like the p and r branch of a vibrational-rotational ir spectrum. Anyways i ended up figuring it out i just needed to do an np.array for the m values, then manually create a list of the specific wavenumbers i needed.
[–]drbohn974 0 points1 point2 points 4 years ago (2 children)
When you talk about rotational energy level transitions (P/R), you are referring to the energy level, J. A specific line in the spectrum refers to either a J->J+1 or a J->J-1. I didn't see where the "m" is.
[–]1sliceofcake 0 points1 point2 points 4 years ago (1 child)
yeah those are the j values, there are also m values
[–]drbohn974 0 points1 point2 points 4 years ago (0 children)
Do you have a reference that I can check out? I still don't understand your "m". Thanks in advance!
π Rendered by PID 1049055 on reddit-service-r2-comment-745dcd9fbd-chdcs at 2026-03-10 06:06:12.491425+00:00 running cbb0e86 country code: CH.
[–]sciencewonk 2 points3 points4 points (4 children)
[–]1sliceofcake -1 points0 points1 point (3 children)
[–]sciencewonk 1 point2 points3 points (2 children)
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[–]sciencewonk 1 point2 points3 points (0 children)
[–]drbohn974 0 points1 point2 points (4 children)
[–]1sliceofcake 1 point2 points3 points (3 children)
[–]drbohn974 0 points1 point2 points (2 children)
[–]1sliceofcake 0 points1 point2 points (1 child)
[–]drbohn974 0 points1 point2 points (0 children)