feat: expose NC options in peak reader #234
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jl-wynen
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Feb 2, 2026
src/ess/diffraction/peaks.py
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| kwargs: | ||
| Can be anything that :py:`NCrystal.NCMATComposer.from_cif` supports. | ||
| For example: `uiso_temperature` or `override_spacegroup`. |
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Can you add an example call with one of these parameters?
| kwargs: | ||
| Can be anything that :py:`NCrystal.NCMATComposer.from_cif` supports. | ||
| For example: `uiso_temperature` or `override_spacegroup`. | ||
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Please update the return description to explain what the values and coords are.
Co-authored-by: Jan-Lukas Wynen <jan-lukas.wynen@ess.eu>
jl-wynen
requested changes
Feb 2, 2026
src/ess/diffraction/peaks.py
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| ------------ | ||
| Array containing the peak positions in `dspacing`, with unit ``angstrom``. | ||
| """ | ||
| Data array represengint peak amplitudes and peak positions in ``dspacing``. |
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Suggested change
| Data array represengint peak amplitudes and peak positions in ``dspacing``. | |
| Data array representing peak amplitudes and peak positions in ``dspacing``. |
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That was fixed already no?
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Fixes #230