:orphan:

PySpecData Examples
===================

Below is a gallery of examples using our 
various functions.



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    <div class="sphx-glr-thumbnails">


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    <div class="sphx-glr-thumbcontainer" tooltip="A quick demonstration of polynomial fitting.">

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  .. image:: /auto_examples/images/thumb/sphx_glr_polyfit_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_polyfit.py`

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      <div class="sphx-glr-thumbnail-title">Polynomial Fitting</div>
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    <div class="sphx-glr-thumbcontainer" tooltip="Show how to_ppm() can apply to two dimensions!">

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  .. image:: /auto_examples/images/thumb/sphx_glr_ppm_2D_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_ppm_2D.py`

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      <div class="sphx-glr-thumbnail-title">PPM in 2D</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="Here is a simple example of errors and unit propagation">

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  .. image:: /auto_examples/images/thumb/sphx_glr_error_example_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_error_example.py`

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      <div class="sphx-glr-thumbnail-title">Error and units example</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="Calculation of the Covariance Matrix">

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  .. image:: /auto_examples/images/thumb/sphx_glr_calculate_covariance_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_calculate_covariance.py`

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      <div class="sphx-glr-thumbnail-title">Calculation of the Covariance Matrix</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="This also demonstrates the point that, when performing convolution, it&#x27;s important to distingui...">

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  .. image:: /auto_examples/images/thumb/sphx_glr_convolution_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_convolution.py`

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      <div class="sphx-glr-thumbnail-title">Simple Convolution Example</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="A simple demonstration of a multi-line vs. image plot with domain coloring, nested inside a fig...">

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  .. image:: /auto_examples/images/thumb/sphx_glr_image_plot_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_image_plot.py`

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      <div class="sphx-glr-thumbnail-title">Plotting Routines</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="Demonstrates how to convert from offset in Hz to  ppm scale">

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  .. image:: /auto_examples/images/thumb/sphx_glr_ppm_example_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_ppm_example.py`

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      <div class="sphx-glr-thumbnail-title">ppm Example</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="Adapt one of the examples from lmfit to use sympy and pyspecdata. Eventually, we want to use pa...">

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  .. image:: /auto_examples/images/thumb/sphx_glr_fit_with_bounds_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_fit_with_bounds.py`

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      <div class="sphx-glr-thumbnail-title">Fit Using Bounds</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="Using lmfitdata, fit a complex data set.">

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  .. image:: /auto_examples/images/thumb/sphx_glr_fit_complex_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_fit_complex.py`

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      <div class="sphx-glr-thumbnail-title">Fit complex data</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="The case considered here is that of an NMR FID that has been acquired with a wider spectral wid...">

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  .. image:: /auto_examples/images/thumb/sphx_glr_basic_example_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_basic_example.py`

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      <div class="sphx-glr-thumbnail-title">Basic Slicing/Filtering Example</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="Basic demonstration of pcolor, which can deal with unevenly spaced data">

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  .. image:: /auto_examples/images/thumb/sphx_glr_pcolor_example_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_pcolor_example.py`

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      <div class="sphx-glr-thumbnail-title">Unevenly spaced data</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="for 1D BRD, adapted mainly from Venkataramanan 2002 but checked against BRD 1981">

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  .. image:: /auto_examples/images/thumb/sphx_glr_BRD_test_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_BRD_test.py`

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      <div class="sphx-glr-thumbnail-title">1D BRD regularization</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="Using lmfitdata, fit a complex data set.">

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  .. image:: /auto_examples/images/thumb/sphx_glr_fit_complex_with_transform_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_fit_complex_with_transform.py`

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      <div class="sphx-glr-thumbnail-title">Fit complex data with transform</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="This example creates fake data with noise then fits the exponential with the fitdata function.">

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  .. image:: /auto_examples/images/thumb/sphx_glr_fit_fake_data_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_fit_fake_data.py`

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      <div class="sphx-glr-thumbnail-title">Fitting Data (Nonlinear + Symbolic)</div>
    </div>


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    </div>


.. toctree::
   :hidden:

   /auto_examples/polyfit
   /auto_examples/ppm_2D
   /auto_examples/error_example
   /auto_examples/calculate_covariance
   /auto_examples/convolution
   /auto_examples/image_plot
   /auto_examples/ppm_example
   /auto_examples/fit_with_bounds
   /auto_examples/fit_complex
   /auto_examples/basic_example
   /auto_examples/pcolor_example
   /auto_examples/BRD_test
   /auto_examples/fit_complex_with_transform
   /auto_examples/fit_fake_data

DCCT
----

We now have nicely packaged code to generate
Domain Colored Coherence Transfer images.



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    <div class="sphx-glr-thumbnails">


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    <div class="sphx-glr-thumbcontainer" tooltip="Visualize a simulated inversion recovery dataset utilizing the benefits of the DCCT plotting st...">

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  .. image:: /auto_examples/DCCT/images/thumb/sphx_glr_DCCT_side_by_side_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_DCCT_DCCT_side_by_side.py`

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      <div class="sphx-glr-thumbnail-title">Arranging Multiple DCCT Plots</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="Visualize a simulated inversion recovery dataset utilizing the benefits of the DCCT plotting st...">

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  .. image:: /auto_examples/DCCT/images/thumb/sphx_glr_DCCT_dimensions_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_DCCT_DCCT_dimensions.py`

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      <div class="sphx-glr-thumbnail-title">Using the DCCT function</div>
    </div>


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    </div>

ESR
---

Examples involving Bruker Electron Spin (Paramagnetic) Resonance Data.



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    <div class="sphx-glr-thumbnails">


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    <div class="sphx-glr-thumbcontainer" tooltip="We use this to demonstrate:">

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  .. image:: /auto_examples/ESR/images/thumb/sphx_glr_epr_u_domain_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_ESR_epr_u_domain.py`

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      <div class="sphx-glr-thumbnail-title">EPR u-domain</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="Load cw Bruker ESR data, both 1D and 2D.">

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  .. image:: /auto_examples/ESR/images/thumb/sphx_glr_esr_example_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_ESR_esr_example.py`

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      <div class="sphx-glr-thumbnail-title">Bruker cw ESR Data</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="This makes use of the package pint, which is a very nice package for handling units.">

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  .. image:: /auto_examples/ESR/images/thumb/sphx_glr_QESR_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_ESR_QESR.py`

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      <div class="sphx-glr-thumbnail-title">Quantitative ESR</div>
    </div>


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    </div>

UV
--

Reading Cary UV-Vis data and performing manipulations.



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    <div class="sphx-glr-thumbnails">


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    <div class="sphx-glr-thumbcontainer" tooltip="A simple demo of loading Cary UV-Vis data. This example just loads a file and plots all the spe...">

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  .. image:: /auto_examples/UV/images/thumb/sphx_glr_Cary_simple_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_UV_Cary_simple.py`

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      <div class="sphx-glr-thumbnail-title">Simple Cary UV-Vis loading</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="After you&#x27;ve looked at the simple UV-Vis example, this one shows how you can manipulate UV-Vis ...">

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  .. image:: /auto_examples/UV/images/thumb/sphx_glr_ellmans_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_UV_ellmans.py`

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      <div class="sphx-glr-thumbnail-title">Manipulation of UV-Vis data</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="This example is specifically designed to process data from a BSA calibration curve lab exercise...">

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  .. image:: /auto_examples/UV/images/thumb/sphx_glr_BSA_calibration_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_UV_BSA_calibration.py`

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      <div class="sphx-glr-thumbnail-title">BSA UV-Vis Calibration</div>
    </div>


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    </div>

XX Individual Functions XX
--------------------------

These are not very important -- just tests to verify the performance of individual functions.



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    <div class="sphx-glr-thumbnails">


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    <div class="sphx-glr-thumbcontainer" tooltip="Save nddata to standard HDF5 format.">

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  .. image:: /auto_examples/indiv_funcs/images/thumb/sphx_glr_hdf_test_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_indiv_funcs_hdf_test.py`

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      <div class="sphx-glr-thumbnail-title">Save data to HDF5</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="Demonstrate how to extend past the limits of the data.">

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  .. image:: /auto_examples/indiv_funcs/images/thumb/sphx_glr_extend_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_indiv_funcs_extend.py`

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      <div class="sphx-glr-thumbnail-title">Extend</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="Convolution">

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  .. image:: /auto_examples/indiv_funcs/images/thumb/sphx_glr_convolve_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_indiv_funcs_convolve.py`

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      <div class="sphx-glr-thumbnail-title">Convolution</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="show an easy method for matching colors using pyspecdata">

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  .. image:: /auto_examples/indiv_funcs/images/thumb/sphx_glr_test_colormatch_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_indiv_funcs_test_colormatch.py`

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      <div class="sphx-glr-thumbnail-title">show an easy method for matching colors using pyspecdata</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="Unitary FT">

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  .. image:: /auto_examples/indiv_funcs/images/thumb/sphx_glr_unitary_ft_thumb.png
    :alt:

  :ref:`sphx_glr_auto_examples_indiv_funcs_unitary_ft.py`

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      <div class="sphx-glr-thumbnail-title">Unitary FT</div>
    </div>


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    </div>


.. toctree::
   :hidden:
   :includehidden:


   /auto_examples/DCCT/index.rst
   /auto_examples/ESR/index.rst
   /auto_examples/UV/index.rst
   /auto_examples/indiv_funcs/index.rst


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  .. container:: sphx-glr-footer sphx-glr-footer-gallery

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

      :download:`Download all examples in Python source code: auto_examples_python.zip </auto_examples/auto_examples_python.zip>`

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

      :download:`Download all examples in Jupyter notebooks: auto_examples_jupyter.zip </auto_examples/auto_examples_jupyter.zip>`


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

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