h2020charisma / ramanchada2

A library for Raman spectroscopy harmonization
https://h2020charisma.github.io/ramanchada2/
MIT License
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Solves #64 - a bug in `rc2.spectrum.from_delta_lines` #65

Closed georgievgeorgi closed 1 year ago

georgievgeorgi commented 1 year ago

If only deltas and nbins are provided, the algorithm calculates boundaries 10% wider than provided lines. This way there are some zeros before the first delta line and some after the last one. Otherwise a confolution will lead to artefacts on the opposite side of the spectrum.

There was a problem when only a single line is provided -- all x-axis values were equal to the delta line. The problem is fixed. Now when a single lien is provided the boundaries are by 20% wider on both sides.