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

.. only:: html

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

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

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

.. _sphx_glr_auto_examples_proc_fieldSweep.py:


Check NMR/ESR resonance ratio using a field sweep
====================================================
Analyzes field sweep data. Determines the optimal field across a gradient that
is on-resonance with the Bridge 12 μw frequency stored in the file to
determine the resonance ratio of MHz/GHz.

.. GENERATED FROM PYTHON SOURCE LINES 8-89



.. rst-class:: sphx-glr-horizontal


    *

      .. image-sg:: /auto_examples/images/sphx_glr_proc_fieldSweep_001.png
         :alt: autoslicing!
         :srcset: /auto_examples/images/sphx_glr_proc_fieldSweep_001.png
         :class: sphx-glr-multi-img

    *

      .. image-sg:: /auto_examples/images/sphx_glr_proc_fieldSweep_002.png
         :alt: , extract signal pathway, check phase variation along indirect, FID sliced, phased, and aligned, table of integrals
         :srcset: /auto_examples/images/sphx_glr_proc_fieldSweep_002.png
         :class: sphx-glr-multi-img

    *

      .. image-sg:: /auto_examples/images/sphx_glr_proc_fieldSweep_003.png
         :alt: power terms
         :srcset: /auto_examples/images/sphx_glr_proc_fieldSweep_003.png
         :class: sphx-glr-multi-img

    *

      .. image-sg:: /auto_examples/images/sphx_glr_proc_fieldSweep_004.png
         :alt: check covariance test
         :srcset: /auto_examples/images/sphx_glr_proc_fieldSweep_004.png
         :class: sphx-glr-multi-img

    *

      .. image-sg:: /auto_examples/images/sphx_glr_proc_fieldSweep_005.png
         :alt: residual after shift
         :srcset: /auto_examples/images/sphx_glr_proc_fieldSweep_005.png
         :class: sphx-glr-multi-img


.. rst-class:: sphx-glr-script-out

 .. code-block:: none

    You didn't set units for indirect before saving the data!!!
    #d62728
    #d62728
    1: autoslicing!
    2: Raw Data with averaged scans
    3: power terms |||ms
    4: check covariance test
    5: residual after shift |||('Hz', 'ppt')







|

.. code-block:: Python


    import pyspecdata as psd
    import pyspecProcScripts as prscr
    import numpy as np
    import matplotlib as mpl
    import matplotlib.pyplot as plt
    from numpy import r_

    plt.rcParams["image.aspect"] = "auto"  # needed for sphinx gallery
    # sphinx_gallery_thumbnail_number = 2
    plt.rcParams.update({
        "errorbar.capsize": 2,
        "figure.facecolor": (1.0, 1.0, 1.0, 0.0),  # clear
        "axes.facecolor": (1.0, 1.0, 1.0, 0.9),  # 90% transparent white
        "savefig.facecolor": (1.0, 1.0, 1.0, 0.0),  # clear
        "savefig.bbox": "tight",
        "savefig.dpi": 300,
        "figure.figsize": (6, 4),
    })

    thisfile, exp_type, nodename, label_str = (
        "240924_13p5mM_TEMPOL_field.h5",
        "ODNP_NMR_comp/field_dependent",
        "field_1",
        "240924 13.5 mM TEMPOL field sweep",
    )
    s = psd.find_file(
        thisfile,
        exp_type=exp_type,
        expno=nodename,
        lookup=prscr.lookup_table,
    )
    use_freq = True
    with psd.figlist_var(black=False) as fl:
        nu_B12 = s.get_prop("acq_params")["uw_dip_center_GHz"]
        if use_freq:
            # Unusually, we want to keep the units of the frequency in MHz
            # (rather than Hz), because it makes it easier to calculate the
            # ppt value.
            s["indirect"] = s["indirect"]["carrierFreq"]
            s.set_units("indirect", "MHz")
            s["indirect"] = s["indirect"] / nu_B12
            s.set_units("indirect", "ppt")
        else:
            # if we wanted to plot the field instead, we could set use_freq
            # above to False
            s["indirect"] = s["indirect"]["Field"]
            s.set_units("indirect", "G")
        s, ax4 = prscr.rough_table_of_integrals(s, fl=fl)
        if use_freq:
            assert s.get_units("indirect") == "ppt", "doesn't seem to be in ppt"
            # {{{ use analytic differentiation to find the max of the polynomial
            c_poly = s.polyfit("indirect", 4)
            print(s.get_plot_color())
            forplot = s.eval_poly(c_poly, "indirect", npts=100)
            print(forplot.get_plot_color())
            psd.plot(forplot, label="fit", ax=ax4)
            theroots = np.roots(
                (c_poly[1:] * r_[1 : len(c_poly)])[  # differentiate the polynomial
                    ::-1
                ]  # in numpy, poly coeff are backwards
            )
            theroots = theroots[
                np.isclose(theroots.imag, 0)
            ].real  # only real roots
            idx_max = np.argmax(np.polyval(c_poly[::-1], theroots))
            # }}}
            ax4.axvline(x=theroots[idx_max], ls=":", color="k", alpha=0.5)
            ax4.text(
                x=theroots[idx_max],
                y=0.5,
                s=" %0.5f ppt" % theroots[idx_max],
                ha="left",
                va="center",
                color="k",
                transform=mpl.transforms.blended_transform_factory(
                    ax4.transData, ax4.transAxes
                ),
            )
        plt.subplots_adjust(hspace=0.5)
        plt.subplots_adjust(wspace=0.3)


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

   **Total running time of the script:** (0 minutes 4.409 seconds)


.. _sphx_glr_download_auto_examples_proc_fieldSweep.py:

.. only:: html

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

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

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

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

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


.. only:: html

 .. rst-class:: sphx-glr-signature

    `Gallery generated by Sphinx-Gallery <https://sphinx-gallery.github.io>`_