Module joint_fit 

Fit a sample together with the calibrant that measured its resolution.

The ordinary route calibrates the resolution on a known sample, pins the result, and fits the unknown one. That reports the temperature as more certain than it is, because resolution width and temperature broaden the line the same way and pinning discards the part of the uncertainty that belongs to their degeneracy.

This route fits both spectra at once against one shared resolution, so the calibrant’s residuals are in the same objective as the sample’s and the reported temperature uncertainty already contains what the calibrant failed to pin down. See nereids_fitting::joint_resolution for why a summarized calibration cannot stand in for those residuals.

Structs

CalibrantSpectrum

The known spectrum: what it is made of, at what temperature, and what was measured.

JointFitResult

What a joint fit reports.

SampleSpectrum

The unknown spectrum and what the fit is free to move in it.

Functions

fit_with_calibrant

Fit transmission and the calibrant against one shared Gaussian resolution.