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0%| | 0.00/42.3M [00:00 + Exception ignored in: 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() @@ -118,7 +118,7 @@ Fit for all navigation positions: self.disp(bar_style='danger', check_delay=False) ^^^^^^^^^ AttributeError: 'tqdm_notebook' object has no attribute 'disp' - 0%| | 0/10 [00:00>> 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 diff --git a/_sources/reference/utils.eds.rst.txt b/_sources/reference/utils.eds.rst.txt new file mode 100644 index 000000000..24165f596 --- /dev/null +++ b/_sources/reference/utils.eds.rst.txt @@ -0,0 +1,17 @@ +:mod:`exspy.utils.eds` +---------------------- + +.. currentmodule:: exspy.utils.eds + + +.. autosummary:: + cross_section_to_zeta + electron_range + get_xray_lines_near_energy + take_off_angle + xray_range + zeta_to_cross_section + + +.. automodule:: exspy.utils.eds + :members: diff --git a/_sources/reference/utils.eels.rst.txt b/_sources/reference/utils.eels.rst.txt new file mode 100644 index 000000000..700768a00 --- /dev/null +++ b/_sources/reference/utils.eels.rst.txt @@ -0,0 +1,17 @@ +:mod:`exspy.utils.eels` +----------------------- + +.. currentmodule:: exspy.utils.eels + + +.. autosummary:: + effective_angle + get_edges_near_energy + get_info_from_edges + iMFP_angular_correction + iMFP_Iakoubovskii + iMFP_TPP2M + + +.. automodule:: exspy.utils.eels + :members: diff --git a/_sources/sg_execution_times.rst.txt b/_sources/sg_execution_times.rst.txt index 5db929b4d..f890b7e3d 100644 --- a/_sources/sg_execution_times.rst.txt +++ b/_sources/sg_execution_times.rst.txt @@ -6,7 +6,7 @@ Computation times ================= -**00:17.851** total execution time for 3 files **from all galleries**: +**00:19.376** total execution time for 3 files **from all galleries**: .. container:: @@ -33,11 +33,11 @@ Computation times - Time - Mem (MB) * - :ref:`sphx_glr_auto_examples_model_fitting_EELS_curve_fitting.py` (``../examples/model_fitting/EELS_curve_fitting.py``) - - 00:17.039 + - 00:18.543 - 0.0 * - :ref:`sphx_glr_auto_examples_model_fitting_plot_residual.py` (``../examples/model_fitting/plot_residual.py``) - - 00:00.484 + - 00:00.497 - 0.0 * - :ref:`sphx_glr_auto_examples_model_fitting_simple_arctan_fit.py` (``../examples/model_fitting/simple_arctan_fit.py``) - - 00:00.328 + - 00:00.337 - 0.0 diff --git a/_sources/user_guide/eds.rst.txt b/_sources/user_guide/eds.rst.txt index 6bf2b64c7..aecd873dd 100644 --- a/_sources/user_guide/eds.rst.txt +++ b/_sources/user_guide/eds.rst.txt @@ -38,7 +38,8 @@ Loading data All data are loaded with the :py:func:`hyperspy.api.load` function, as described in detail in the :external+hyperspy:ref:`loading files` of the HyperSpy documentation. HyperSpy is able to import different formats, among them -``msa`` and ``rpl`` (the raw format of Oxford Instruments and Bruker). +:external+rsciio:ref:`msa ` and :external+rsciio:ref:`rpl ` +(the raw format of Oxford Instruments and Bruker). Here are three examples of files exported by Oxford Instruments software (INCA). For a single spectrum: @@ -59,7 +60,7 @@ dimensional signal with the energy axis in first position): >>> si -Finally, for a stack of spectrum images, using "*" as a wildcard character: +Finally, for a stack of spectrum images, ``"*"`` can be used as a wildcard character: .. code-block:: python @@ -138,7 +139,7 @@ or through the GUI: .. figure:: images/EDS_microscope_parameters_gui.png :align: center - :width: 350 + :width: 300 EDS microscope parameters preferences window @@ -159,7 +160,7 @@ or through the GUI: .. figure:: images/EDS_preferences_gui.png :align: center - :width: 400 + :width: 300 EDS preferences window @@ -231,19 +232,15 @@ The description of the sample is also stored in the ├── thickness = 100 └── xray_lines = ['Fe_Ka', 'Pt_La'] - -The following methods are either called "set" or "add". - -* "set" methods overwrite previously defined values -* "add" methods add to the previously defined values - Elements ^^^^^^^^ -The elements present in the sample can be defined using the -:py:meth:`~.signals.EDSSpectrum.set_elements` and -:py:meth:`~.signals.EDSSpectrum.add_elements` methods. Only element -abbreviations are accepted: +The elements present in the sample can be defined using two methods: + +- :py:meth:`~.signals.EDSSpectrum.set_elements` to overwrite previously defined elements +- :py:meth:`~.signals.EDSSpectrum.add_elements` to add to the previously defined elements + +Only element abbreviations are accepted: .. code-block:: python @@ -256,11 +253,13 @@ abbreviations are accepted: X-ray lines ^^^^^^^^^^^ -Similarly, the X-ray lines can be defined using the -:py:meth:`~.signals.EDSSpectrum.set_lines` and -:py:meth:`~.signals.EDSSpectrum.add_lines` methods. The corresponding -elements will be added automatically. -Several lines per element can be defined at once. +Similarly, the X-ray lines can be defined using: + +- :py:meth:`~.signals.EDSSpectrum.set_lines` to overwrite previously defined values +- :py:meth:`~.signals.EDSSpectrum.add_lines` to add to the previously defined elements + +The corresponding elements will be added automatically. Several lines per +element can be defined at once. .. code-block:: python @@ -278,7 +277,7 @@ overvoltage of 2 (< beam energy / 2)): .. code-block:: python - >>> s = hs.datasets.example_signals.EDS_SEM_Spectrum() + >>> s = exspy.data.EDS_SEM_TM002() >>> s.set_elements(['Al', 'Cu', 'Mn']) >>> s.set_microscope_parameters(beam_energy=30) >>> s.add_lines() @@ -300,7 +299,7 @@ energy: .. code-block:: python - >>> s = hs.datasets.example_signals.EDS_SEM_Spectrum() + >>> s = exspy.data.EDS_SEM_TM002() >>> s.set_elements(['Mn']) >>> s.set_microscope_parameters(beam_energy=5) >>> s.add_lines(['Mn_Ka']) @@ -310,18 +309,18 @@ energy: Elemental database ^^^^^^^^^^^^^^^^^^ -HyperSpy includes an elemental database, which contains the energy of the +`eXSpy` includes an elemental database, which contains the energy of the X-ray lines. .. code-block:: python - >>> hs.material.elements.Fe.General_properties + >>> exspy.material.elements.Fe.General_properties ├── Z = 26 ├── atomic_weight = 55.845 └── name = iron - >>> hs.material.elements.Fe.Physical_properties + >>> exspy.material.elements.Fe.Physical_properties └── density (g/cm^3) = 7.874 - >>> hs.material.elements.Fe.Atomic_properties.Xray_lines + >>> exspy.material.elements.Fe.Atomic_properties.Xray_lines ├── Ka │ ├── energy (keV) = 6.404 │ └── weight = 1.0 @@ -345,14 +344,14 @@ Finding elements from energy ^^^^^^^^^^^^^^^^^^^^^^^^^^^^ To find the nearest X-ray line for a given energy, use the utility function -:py:func:`~.misc.eds.utils.get_xray_lines_near_energy` to search the elemental +:py:func:`~.utils.eds.get_xray_lines_near_energy` to search the elemental database: .. code-block:: python - >>> s = hs.datasets.example_signals.EDS_SEM_Spectrum() + >>> s = exspy.data.EDS_SEM_TM002() >>> P = s.find_peaks1D_ohaver(maxpeakn=1)[0] - >>> hs.eds.get_xray_lines_near_energy(P['position'], only_lines=['a', 'b']) + >>> exspy.utils.eds.get_xray_lines_near_energy(P['position'], only_lines=['a', 'b']) ['C_Ka', 'Ca_La', 'B_Ka'] The lines are returned in order of distance from the specified energy, and can @@ -369,7 +368,7 @@ You can visualize an EDS spectrum using the .. code-block:: python - >>> s = hs.datasets.example_signals.EDS_SEM_Spectrum() + >>> s = exspy.data.EDS_SEM_TM002() >>> s.plot() .. figure:: images/EDS_plot_spectrum.png @@ -389,13 +388,13 @@ Plotting X-ray lines X-ray lines can be added as plot labels with :py:meth:`~.signals.EDSSpectrum.plot`. The lines are either retrieved -from ``metadata.Sample.Xray_lines``, or selected with the same method as -:py:meth:`~.signals.EDSSpectrum.add_lines` using the elements in -``metadata.Sample.elements``. +from :ref:`metadata.Sample.Xray_lines `, or selected +with the same method as :py:meth:`~.signals.EDSSpectrum.add_lines` using +the elements defined in :ref:`metadata.Sample.elements `. .. code-block:: python - >>> s = hs.datasets.example_signals.EDS_SEM_Spectrum() + >>> s = exspy.data.EDS_SEM_TM002() >>> s.add_elements(['C','Mn','Cu','Al','Zr']) >>> s.plot(True) @@ -409,7 +408,7 @@ You can also select a subset of lines to label: .. code-block:: python - >>> s = hs.datasets.example_signals.EDS_SEM_Spectrum() + >>> s = exspy.data.EDS_SEM_TM002() >>> s.add_elements(['C','Mn','Cu','Al','Zr']) >>> s.plot(True, only_lines=['Ka','b']) @@ -451,9 +450,9 @@ Mn Ka to the peak energy (``energy_resolution_MnKa`` in the metadata): :align: center :width: 500 - Iron map as computed and displayed by ``get_lines_intensity`` + Iron map as computed and displayed by :py:meth:`~.signals.EDSSpectrum.get_lines_intensity` -The X-ray lines defined in ``metadata.Sample.Xray_lines`` are used by default. +The X-ray lines defined in :ref:`metadata.Sample.Xray_lines ` are used by default. The EDS maps can be plotted using :py:func:`hyperspy.api.plot.plot_images`, see :external+hyperspy:ref:`plotting several images` for more information in setting plotting parameters. @@ -598,8 +597,8 @@ ranges containing no X-ray lines: >>> m.fit_background() The width of the X-ray lines is defined from the energy resolution (FWHM at -Mn Ka) provided by ``energy_resolution_MnKa`` in ``metadata``. This parameter -can be calibrated by fitting with +Mn Ka) provided by :ref:`metadata.Acquisition_instrument.Detector.EDS.energy_resolution_MnKa `. +This parameter can be calibrated by fitting with :py:meth:`~.models.EDSModel.calibrate_energy_axis`: .. code-block:: python @@ -692,8 +691,8 @@ and :ref:`[Watanabe2006] `. Cross sections should be provided in units of barns (b). Further details on the cross section method can be found in :ref:`[MacArthur2016] `. Conversion between zeta-factors and cross sections is possible using -:py:func:`~.misc.eds.utils.edx_cross_section_to_zeta` or -:py:func:`~.misc.eds.utils.zeta_to_edx_cross_section`. +:py:func:`~.utils.eds.cross_section_to_zeta` or +:py:func:`~.utils.eds.zeta_to_cross_section`. Using the Cliff-Lorimer method as an example, quantification can be carried out as follows: @@ -722,14 +721,14 @@ transformed into weight percent either with the option Fe (Fe_Ka): Composition = 4.96 weight percent Pt (Pt_La): Composition = 95.04 weight percent -or using :py:func:`~.misc.material.atomic_to_weight`: +or using :py:func:`~.material.atomic_to_weight`: .. code-block:: python >>> # With atomic_percent from before - >>> weight_percent = hs.material.atomic_to_weight(atomic_percent) + >>> weight_percent = exspy.material.atomic_to_weight(atomic_percent) -The reverse method is :py:func:`~.misc.material.weight_to_atomic`. +The reverse method is :py:func:`~.material.weight_to_atomic`. The zeta-factor method needs both the ``beam_current`` (in nA) and the acquisition or dwell time (referred to as ``real_time`` in seconds) in order @@ -834,17 +833,18 @@ Mass absorption coefficient database ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ A mass absorption coefficient database :ref:`[Chantler2005] ` -is available: +is available can be accessed using :py:meth:`exspy.material.mass_absorption_coefficient` +and :py:meth:`exspy.material.mass_absorption_mixture`: .. code-block:: python - >>> hs.material.mass_absorption_coefficient( + >>> exspy.material.mass_absorption_coefficient( ... element='Al', energies=['C_Ka','Al_Ka']) array([ 26330.38933818, 372.02616732]) .. code-block:: python - >>> hs.material.mass_absorption_mixture( + >>> exspy.material.mass_absorption_mixture( ... elements=['Al','Zn'], weight_percent=[50,50], energies='Al_Ka') 2587.4161643905127 @@ -852,20 +852,20 @@ Electron and X-ray range ^^^^^^^^^^^^^^^^^^^^^^^^ The electron and X-ray range in a bulk material can be estimated with -:py:meth:`hs.eds.electron_range` and :py:meth:`hs.eds.xray_range` +:py:meth:`exspy.utils.eds.electron_range` and :py:meth:`exspy.utils.eds.xray_range` To calculate the X-ray range of Cu Ka in pure Copper at 30 kV in micron: .. code-block:: python - >>> hs.eds.xray_range('Cu_Ka', 30.) + >>> exspy.utils.eds.xray_range('Cu_Ka', 30.) 1.9361716759499248 To calculate the X-ray range of Cu Ka in pure Carbon at 30kV in micron: .. code-block:: python - >>> hs.eds.xray_range('Cu_Ka', 30., hs.material.elements.C. + >>> exspy.utils.eds.xray_range('Cu_Ka', 30., exspy.material.elements.C. ... Physical_properties.density_gcm3) 7.6418811280855454 @@ -873,5 +873,5 @@ To calculate the electron range in pure Copper at 30 kV in micron .. code-block:: python - >>> hs.eds.electron_range('Cu', 30.) + >>> exspy.utils.eds.electron_range('Cu', 30.) 2.8766744984001607 diff --git a/_sources/user_guide/eels.rst.txt b/_sources/user_guide/eels.rst.txt index ddfbfcb2e..19a2611ad 100644 --- a/_sources/user_guide/eels.rst.txt +++ b/_sources/user_guide/eels.rst.txt @@ -15,7 +15,7 @@ The functions described in this chapter are only available for the .. code-block:: python - >>> s.set_signal_type("EELS") + >>> s.set_signal_type("EELS") # doctest: +SKIP Note these chapter discusses features that are available only for :py:class:`~.signals.EELSSpectrum` class. However, this class inherits @@ -47,10 +47,9 @@ they are arranged in the order closest to 849 eV. .. code-block:: python - >>> from hyperspy.misc.eels.tools import get_edges_near_energy - >>> get_edges_near_energy(532) + >>> exspy.utils.eels.get_edges_near_energy(532) ['O_K', 'Pd_M3', 'Sb_M5', 'Sb_M4'] - >>> get_edges_near_energy(849, width=6) + >>> exspy.utils.eels.get_edges_near_energy(849, width=6) ['La_M4', 'Fe_L1'] The static method :py:meth:`~.signals.EELSSpectrum.print_edges_near_energy` @@ -59,7 +58,7 @@ more information about the edges. .. code-block:: python - >>> s = hs.datasets.artificial_data.get_core_loss_eels_signal() + >>> s = exspy.data.EELS_MnFe() >>> s.print_edges_near_energy(401, width=20) +-------+-------------------+-----------+-----------------------------+ | edge | onset energy (eV) | relevance | description | @@ -85,7 +84,7 @@ to aid identification of edges. .. code-block:: python - >>> s = hs.datasets.artificial_data.get_core_loss_eels_signal() + >>> s = exspy.data.EELS_MnFe() >>> s.edges_at_energy() .. figure:: images/EELS_edges_at_energy.png diff --git a/_sources/user_guide/metadata_structure.rst.txt b/_sources/user_guide/metadata_structure.rst.txt index cdbaa1a7d..985d8052b 100644 --- a/_sources/user_guide/metadata_structure.rst.txt +++ b/_sources/user_guide/metadata_structure.rst.txt @@ -101,6 +101,8 @@ General See :external+hyperspy:ref:`HyperSpy-Metadata-General `. +.. _sample-metadata: + Sample ====== @@ -315,6 +317,8 @@ spectrometer The spectrometer model, e.g. Gatan Enfinium ER (Model 977). +.. _eds-detector-metadata: + EDS ^^^ diff --git a/_sphinx_design_static/sphinx-design.min.css b/_sphinx_design_static/sphinx-design.min.css index a325746f2..860c36da0 100644 --- a/_sphinx_design_static/sphinx-design.min.css +++ b/_sphinx_design_static/sphinx-design.min.css @@ -1 +1 @@ -.sd-bg-primary{background-color:var(--sd-color-primary) !important}.sd-bg-text-primary{color:var(--sd-color-primary-text) 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#d3d4d5;--sd-color-muted-highlight: #5c636a;--sd-color-dark-highlight: #1c1f23;--sd-color-black-highlight: black;--sd-color-white-highlight: #d9d9d9;--sd-color-primary-bg: rgba(0, 113, 188, 0.2);--sd-color-secondary-bg: rgba(108, 117, 125, 0.2);--sd-color-success-bg: rgba(40, 167, 69, 0.2);--sd-color-info-bg: rgba(23, 162, 184, 0.2);--sd-color-warning-bg: rgba(240, 179, 126, 0.2);--sd-color-danger-bg: rgba(220, 53, 69, 0.2);--sd-color-light-bg: rgba(248, 249, 250, 0.2);--sd-color-muted-bg: rgba(108, 117, 125, 0.2);--sd-color-dark-bg: rgba(33, 37, 41, 0.2);--sd-color-black-bg: rgba(0, 0, 0, 0.2);--sd-color-white-bg: rgba(255, 255, 255, 0.2);--sd-color-primary-text: #fff;--sd-color-secondary-text: #fff;--sd-color-success-text: #fff;--sd-color-info-text: #fff;--sd-color-warning-text: #212529;--sd-color-danger-text: #fff;--sd-color-light-text: #212529;--sd-color-muted-text: #fff;--sd-color-dark-text: #fff;--sd-color-black-text: #fff;--sd-color-white-text: #212529;--sd-color-shadow: rgba(0, 0, 0, 0.15);--sd-color-card-border: rgba(0, 0, 0, 0.125);--sd-color-card-border-hover: hsla(231, 99%, 66%, 1);--sd-color-card-background: transparent;--sd-color-card-text: inherit;--sd-color-card-header: transparent;--sd-color-card-footer: transparent;--sd-color-tabs-label-active: hsla(231, 99%, 66%, 1);--sd-color-tabs-label-hover: hsla(231, 99%, 66%, 1);--sd-color-tabs-label-inactive: hsl(0, 0%, 66%);--sd-color-tabs-underline-active: hsla(231, 99%, 66%, 1);--sd-color-tabs-underline-hover: rgba(178, 206, 245, 0.62);--sd-color-tabs-underline-inactive: transparent;--sd-color-tabs-overline: rgb(222, 222, 222);--sd-color-tabs-underline: rgb(222, 222, 222);--sd-fontsize-tabs-label: 1rem;--sd-fontsize-dropdown: inherit;--sd-fontsize-dropdown-title: 1rem;--sd-fontweight-dropdown-title: 700} diff --git a/auto_examples/index.html b/auto_examples/index.html index 87bf75ad0..183069fbf 100644 --- a/auto_examples/index.html +++ b/auto_examples/index.html @@ -34,7 +34,7 @@ - + @@ -562,7 +562,7 @@

Model fitting - © Copyright 2023, eSpy Developers. + © Copyright 2024, eXSpy Developers.

@@ -571,7 +571,7 @@

Model fitting

- Created using Sphinx 7.4.7. + Created using Sphinx 8.0.2.

diff --git a/auto_examples/model_fitting/EELS_curve_fitting.html b/auto_examples/model_fitting/EELS_curve_fitting.html index bd6c0aea4..a03a7b9f5 100644 --- a/auto_examples/model_fitting/EELS_curve_fitting.html +++ b/auto_examples/model_fitting/EELS_curve_fitting.html @@ -34,7 +34,7 @@ - + @@ -463,63 +463,63 @@

Performs curve fitting to an EELS spectrum, plots the result and saves it as png file.

coreloss_spectrum Signal
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@@ -527,8 +527,8 @@ 
import hyperspy.api as hs
 
-s = hs.load("coreloss_spectrum.msa", signal_type="EELS")
-ll = hs.load("lowloss_spectrum.msa", signal_type="EELS")
+s = hs.load("coreloss_spectrum.msa", signal_type="EELS")
+ll = hs.load("lowloss_spectrum.msa", signal_type="EELS")
 
 s.add_elements(("Mn", "O"))
 s.set_microscope_parameters(
@@ -537,17 +537,17 @@
 
 m = s.create_model(low_loss=ll)
 m.enable_fine_structure()
-m.multifit(kind="smart")
-m.plot()
+m.multifit(kind="smart")
+m.plot()
 
 # one can also use the Dirac GOS by specifying the GOS parameter
 m = s.create_model(low_loss=ll, GOS="dirac")
 m.enable_fine_structure()
-m.multifit(kind="smart")
-m.plot()
+m.multifit(kind="smart")
+m.plot()
-

Total running time of the script: (0 minutes 17.039 seconds)

+

Total running time of the script: (0 minutes 18.543 seconds)