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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?
The text was updated successfully, but these errors were encountered:
rbrtschwn
changed the title
Extra Values in AB Data
Incorrect Extra Values in AB Data
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:
brukeropusreader/brukeropusreader/opus_data.py
Line 10 in ed13492
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?
The text was updated successfully, but these errors were encountered: