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Incorrect Extra Values in AB Data #30

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rbrtschwn opened this issue Feb 1, 2024 · 0 comments
Open

Incorrect Extra Values in AB Data #30

rbrtschwn opened this issue Feb 1, 2024 · 0 comments

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@rbrtschwn
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rbrtschwn commented Feb 1, 2024

Hi,

First of all, thank you for providing this library!

While trying it, we have come across an issue when reading AB spectra. There are extra values that OPUS does not show. I believe this is related to this comment in the source code:

# the number of points here is OK. It is "AB" that can return more values (equals to zero)

This comment suggests that the actual number of y data points may be larger than what the NPT parameter says, so extra x values are added accordingly. Probably, it should be the other way around. NPT is correct and extra y values should be truncated.

Any chance of changing the behavior?

@rbrtschwn rbrtschwn changed the title Extra Values in AB Data Incorrect Extra Values in AB Data Feb 1, 2024
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