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.. code-block:: none
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.. rst-class:: sphx-glr-timing

**Total running time of the script:** (0 minutes 16.891 seconds)
**Total running time of the script:** (0 minutes 18.439 seconds)


.. _sphx_glr_download_auto_examples_model_fitting_EELS_curve_fitting.py:
Expand Down
6 changes: 3 additions & 3 deletions _sources/auto_examples/model_fitting/plot_residual.rst.txt
Original file line number Diff line number Diff line change
Expand Up @@ -110,15 +110,15 @@ Fit for all navigation positions:

.. code-block:: none
Exception ignored in: <function tqdm.__del__ at 0x7f87009ff240>
Exception ignored in: <function tqdm.__del__ at 0x7fe9b02a71a0>
Traceback (most recent call last):
File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/tqdm/std.py", line 1148, in __del__
self.close()
File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/tqdm/notebook.py", line 279, in close
self.disp(bar_style='danger', check_delay=False)
^^^^^^^^^
AttributeError: 'tqdm_notebook' object has no attribute 'disp'
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0%| | 0/10 [00:00<?, ?it/s] 100%|██████████| 10/10 [00:00<00:00, 1467.26it/s]



Expand Down Expand Up @@ -164,7 +164,7 @@ sphinx_gallery_thumbnail_number = 2

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

**Total running time of the script:** (0 minutes 0.477 seconds)
**Total running time of the script:** (0 minutes 0.472 seconds)


.. _sphx_glr_download_auto_examples_model_fitting_plot_residual.py:
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Original file line number Diff line number Diff line change
Expand Up @@ -6,7 +6,7 @@

Computation times
=================
**00:17.693** total execution time for 3 files **from auto_examples/model_fitting**:
**00:19.244** total execution time for 3 files **from auto_examples/model_fitting**:

.. container::

Expand All @@ -33,11 +33,11 @@ Computation times
- Time
- Mem (MB)
* - :ref:`sphx_glr_auto_examples_model_fitting_EELS_curve_fitting.py` (``EELS_curve_fitting.py``)
- 00:16.891
- 00:18.439
- 0.0
* - :ref:`sphx_glr_auto_examples_model_fitting_plot_residual.py` (``plot_residual.py``)
- 00:00.477
- 00:00.472
- 0.0
* - :ref:`sphx_glr_auto_examples_model_fitting_simple_arctan_fit.py` (``simple_arctan_fit.py``)
- 00:00.325
- 00:00.334
- 0.0
Original file line number Diff line number Diff line change
Expand Up @@ -42,9 +42,9 @@ Fit an arctan function.
Active: True
Parameter Name | Free | Value | Std | Min | Max | Linear
============== | ======= | ========== | ========== | ========== | ========== | ======
A | True | 0.99660893 | 0.00206940 | None | None | True
k | True | 0.98227444 | 0.08025824 | None | None | False
x0 | True | 0.03142528 | 0.07797092 | None | None | False
A | True | 0.99871385 | 0.00211880 | None | None | True
k | True | 0.96800069 | 0.08015125 | None | None | False
x0 | True | 0.03792893 | 0.08029446 | None | None | False
Expand Down Expand Up @@ -91,7 +91,7 @@ Fit an arctan function.
.. rst-class:: sphx-glr-timing

**Total running time of the script:** (0 minutes 0.325 seconds)
**Total running time of the script:** (0 minutes 0.334 seconds)


.. _sphx_glr_download_auto_examples_model_fitting_simple_arctan_fit.py:
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76 changes: 48 additions & 28 deletions _sources/reference/material.rst.txt
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Expand Up @@ -18,7 +18,9 @@
.. autoattribute:: exspy.material.elements
:annotation:

Database of element properties. The following properties are included:
Database of element properties.

The following properties are included:

.. code::
Expand All @@ -32,32 +34,50 @@ Database of element properties. The following properties are included:
└── Physical_properties
└── density_gcm3
Examples:
The X-ray lines energies are taken from Chantler et al. [1]_.

.. code::
The line weight, more precisely the approximate line weight for K, L, M
shells are taken from the Electron Probe Quantification (EPQ) library [2]_.

The field ``threshold`` and ``edge`` are taken from the Gatan EELS atlas
https://eels.info/atlas, as retrieved in June 2020.

Examples

>>> exspy.material.elements.Fe.General_properties
├── Z = 26
├── atomic_weight = 55.845
└── name = iron
>>> exspy.material.elements.Fe.Physical_properties
└── density (g/cm^3) = 7.874
>>> exspy.material.elements.Fe.Atomic_properties.Xray_lines
├── Ka
│ ├── energy (keV) = 6.404
│ └── weight = 1.0
├── Kb
│ ├── energy (keV) = 7.0568
│ └── weight = 0.1272
├── La
│ ├── energy (keV) = 0.705
│ └── weight = 1.0
├── Lb3
│ ├── energy (keV) = 0.792
│ └── weight = 0.02448
├── Ll
│ ├── energy (keV) = 0.615
│ └── weight = 0.3086
└── Ln
├── energy (keV) = 0.62799
└── weight = 0.12525


References

.. [1] Chantler, C.T., Olsen, K., Dragoset, R.A., Kishore, A.R.,
Kotochigova, S.A., and Zucker, D.S. (2005), X-Ray Form Factor,
Attenuation and Scattering Tables (version 2.1).
https://dx.doi.org/10.18434/T4HS32
>>> exspy.material.elements.Fe.General_properties
├── Z = 26
├── atomic_weight = 55.845
└── name = iron
>>> exspy.material.elements.Fe.Physical_properties
└── density (g/cm^3) = 7.874
>>> exspy.material.elements.Fe.Atomic_properties.Xray_lines
├── Ka
│ ├── energy (keV) = 6.404
│ └── weight = 1.0
├── Kb
│ ├── energy (keV) = 7.0568
│ └── weight = 0.1272
├── La
│ ├── energy (keV) = 0.705
│ └── weight = 1.0
├── Lb3
│ ├── energy (keV) = 0.792
│ └── weight = 0.02448
├── Ll
│ ├── energy (keV) = 0.615
│ └── weight = 0.3086
└── Ln
├── energy (keV) = 0.62799
└── weight = 0.12525
.. [2] Ritchie, N. EPQ is the Electron Probe Quantification library
- the basis for DTSA-II.
https://github.com/usnistgov/EPQ
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