.. DO NOT EDIT.
.. THIS FILE WAS AUTOMATICALLY GENERATED BY SPHINX-GALLERY.
.. TO MAKE CHANGES, EDIT THE SOURCE PYTHON FILE:
.. "auto_gallery/accuracy/plot_robustness.py"
.. LINE NUMBERS ARE GIVEN BELOW.

.. only:: html

    .. note::
        :class: sphx-glr-download-link-note

        :ref:`Go to the end <sphx_glr_download_auto_gallery_accuracy_plot_robustness.py>`
        to download the full example code.

.. rst-class:: sphx-glr-example-title

.. _sphx_glr_auto_gallery_accuracy_plot_robustness.py:


Robustness: leaving one dataset out
===================================

Each fit refitted without each of its datasets in turn (``tools/fit/robustness.py``,
stored in ``data/gas/models/robustness``): the change of the polarizability at five
wavelengths across the model's range, in units of the full fit's one-sigma uncertainty.
A dataset whose removal moves the model by much more than one sigma determines the model
there on its own. For the backbones (the ab initio moments of helium, neon and argon,
the dielectric static values) that is by design. Two levels rest on one metrology value
each: hydrogen's on Achtermann's (-870 ppm without it) and oxygen's on Birch's (-840
ppm), where the band understates the uncertainty of the level (TC-101).

Each refit starts from the full solution and follows it to the nearest minimum, so the
shifts measure the dataset and not the optimiser.

.. GENERATED FROM PYTHON SOURCE LINES 23-81



.. image-sg:: /auto_gallery/accuracy/images/sphx_glr_plot_robustness_001.svg
   :alt: fit/He, fit/Ne, fit/Ar, fit/Kr, fit/Xe, fit/N2, fit/H2, fit/D2, fit/O2, fit/CH4, fit/SF6, fit/N2O, fit/CO2
   :srcset: /auto_gallery/accuracy/images/sphx_glr_plot_robustness_001.svg
   :class: sphx-glr-single-img





.. code-block:: Python

    import json

    import matplotlib.pyplot as plt
    import numpy as np

    from optmat.gas import GAS_DATA_DIRECTORY

    GASES = [
        *("He", "Ne", "Ar", "Kr", "Xe"),
        *("N2", "H2", "D2", "O2", "CH4", "SF6", "N2O", "CO2"),
    ]
    FLOOR = 1e-3  # smaller shifts are drawn at the left edge
    # Up to seven wavelengths per record (two near the short end, 343-1800 nm).
    COLOURS = [
        *("#4a3aa7", "#2a78d6", "#1baf7a", "#eb6834"),
        *("#e87ba4", "#52514e", "#b8860b"),
    ]
    records = {
        gas: json.loads(
            (GAS_DATA_DIRECTORY / "models" / "robustness" / f"{gas}.json").read_text(
                encoding="utf-8"
            )
        )
        for gas in GASES
    }

    fig, axes = plt.subplots(5, 3, figsize=(12, 17), layout="constrained")
    for ax in axes.flat[len(GASES) :]:
        ax.set_visible(False)
    for ax, gas in zip(axes.flat, GASES, strict=False):
        record = records[gas]
        keys = list(record["dropped"])
        centre = (len(record["wavelength_nm"]) - 1) / 2
        for column, wavelength in enumerate(record["wavelength_nm"]):
            shifts = [record["dropped"][key]["shift_sigma"][column] for key in keys]
            ax.plot(
                np.clip(np.abs(shifts), FLOOR, None),
                np.arange(len(keys)) + 0.1 * (column - centre),
                "o",
                ms=5,
                color=COLOURS[column],
                label=f"{wavelength:.0f} nm",
            )
        sources = [key.split("/")[0] for key in keys]
        labels = [
            key.replace("/", ":\n") if sources.count(source) > 1 else source
            for key, source in zip(keys, sources, strict=True)
        ]
        ax.set_yticks(range(len(keys)), labels, fontsize=7)
        ax.set_xscale("log")
        ax.set_xlim(FLOOR / 1.5, 1e4)
        ax.axvline(1, color="#0b0b0b", lw=0.8)
        ax.invert_yaxis()
        ax.set_title(f"fit/{gas}", fontsize=10)
        ax.legend(fontsize=6, loc="lower right")
    for ax in axes.flat[len(GASES) - 3 : len(GASES)]:  # the bottom of each column
        ax.set_xlabel("|shift| / sigma of the full fit")
    plt.show()


.. rst-class:: sphx-glr-timing

   **Total running time of the script:** (0 minutes 2.449 seconds)


.. _sphx_glr_download_auto_gallery_accuracy_plot_robustness.py:

.. only:: html

  .. container:: sphx-glr-footer sphx-glr-footer-example

    .. container:: sphx-glr-download sphx-glr-download-jupyter

      :download:`Download Jupyter notebook: plot_robustness.ipynb <plot_robustness.ipynb>`

    .. container:: sphx-glr-download sphx-glr-download-python

      :download:`Download Python source code: plot_robustness.py <plot_robustness.py>`

    .. container:: sphx-glr-download sphx-glr-download-zip

      :download:`Download zipped: plot_robustness.zip <plot_robustness.zip>`