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Add nexus_calibration: export a ramanchada2 calibration as NXraman NeXus - #118

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vedina wants to merge 2 commits into
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feature/nexus-calibration-export
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vedina wants to merge 2 commits into
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feature/nexus-calibration-export

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@vedina vedina commented Oct 5, 2026

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Moved from ramanchada2.protocols.calibration.serialization so ramanchada2 does not depend on pyambit or nexusformat. The module takes a derived CalibrationModel (and optional YCalibrationComponent / calibrant spectra), writes the spectra through spe2ambit / NXRamanProtocolApplication and adds NXcalibration groups (curve, fit parameters, matched-peak anchors, JSON model) via nexusformat. ramanchada2 is imported lazily; the tests skip when it is not installed.

vedina and others added 2 commits October 5, 2026 19:58
Moved from ramanchada2.protocols.calibration.serialization so ramanchada2
does not depend on pyambit or nexusformat. The module takes a derived
CalibrationModel (and optional YCalibrationComponent / calibrant spectra),
writes the spectra through spe2ambit / NXRamanProtocolApplication and adds
NXcalibration groups (curve, fit parameters, matched-peak anchors, JSON
model) via nexusformat. ramanchada2 is imported lazily; the tests skip when
it is not installed.

Co-Authored-By: Claude Sonnet 5.5 <noreply@anthropic.com>

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