Fix bugs in to_raman_shift

LumiSpy / lumispy

Luminescence data analysis with HyperSpy.

https://lumispy.org

GNU General Public License v3.0

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Fix bugs in to_raman_shift #140

Closed jlaehne closed 2 years ago

jlaehne commented 2 years ago

Description of the change

The conversion to Raman shift (relative wavenumber) is not working as it should:

data was inverted compared with axis vector
label axis as Raman Shift
make Jacobian=False default
inplace=False was working with original data instead of copy

Progress of the PR

[x] Change implemented (can be split into several points),
[x] added tests,
[x] added line to CHANGELOG.md,
[x] ready for review.

jordiferrero commented 2 years ago

Is this ready for review?

jlaehne commented 2 years ago

Is this ready for review?

I still have to fix the tests. Also currently, it runs the to_invcm function, which inverts the data order and then inverts it back ... I want to see if it does not make sense to change that. But as it is a serious bug, I should probably finish the fix first and a smoother solution could come later.