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agilent: Implement new uncertainty and other fixes#244

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PeterKraus merged 4 commits intomainfrom
uncty_agilent
Aug 26, 2025
Merged

agilent: Implement new uncertainty and other fixes#244
PeterKraus merged 4 commits intomainfrom
uncty_agilent

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  • Implements Better uncertainties for yadg-7.0 #240 for agilent.csv, agilent.ch, agilent.dx parsers:
    • For agilent.ch and agilent.dx this is trivial, as a scaling factor has been used previously.
    • For agilent.csv, we now pick the maximum value from the str -> float conversion for each trace; the test file that is available shows that the number of decimal places is constant in the whole file and scientific notation is not used, i.e. the uncertainty is absolute.
  • In agilent.csv, we now assign elution_time as a proper coordinate of signal. We also remove any manual padding. The elution_time is now expanded as necessary on concatenation (using xr.concat), and np.nans are inserted into signal at the necessary positions automatically.

@PeterKraus PeterKraus merged commit 1496adb into main Aug 26, 2025
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@PeterKraus PeterKraus deleted the uncty_agilent branch August 26, 2025 16:19
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