diff --git a/base_classes/NXdata.nxdl.xml b/base_classes/NXdata.nxdl.xml
index 774c653253..408eb3a2e5 100644
--- a/base_classes/NXdata.nxdl.xml
+++ b/base_classes/NXdata.nxdl.xml
@@ -1,10 +1,10 @@
-
-
+
+
-
-
-
-
-
- These symbols will be used below to coordinate fields with the same shape.
- rank of the ``DATA`` field
- length of the ``AXISNAME`` field
- length of the ``x`` field
- length of the ``y`` field
- length of the ``z`` field
-
-
-
-
- .. index:: plotting
-
- Array of strings holding the :ref:`names <validItemName>` of additional
- signals to be plotted with the default :ref:`signal </NXdata@signal-attribute>`.
- These fields or links *must* exist and be direct children of this NXdata group.
-
- Each auxiliary signal needs to be of the same shape as the default signal.
-
- .. NIAC2018:
- https://www.nexusformat.org/NIAC2018Minutes.html
-
-
-
-
- .. index:: find the default plottable data
- .. index:: plotting
- .. index:: signal attribute value
-
- Declares which NeXus field is the default.
- The value is the :ref:`name <validItemName>` of the data field to be plotted.
- This field or link *must* exist and be a direct child of this NXdata group.
-
- It is recommended (as of NIAC2014) to use this attribute
- rather than adding a signal attribute to the field.
- See https://www.nexusformat.org/2014_How_to_find_default_data.html
- for a summary of the discussion.
-
-
-
-
- .. index:: plotting
-
- Array of strings holding the :ref:`names <validItemName>` of
- the independent data fields used in the default plot for all of
- the dimensions of the :ref:`signal </NXdata@signal-attribute>`
- as well as any :ref:`auxiliary signals </NXdata@auxiliary_signals-attribute>`.
-
- One name is provided for every dimension in the *signal* or *auxiliary signal* fields.
-
- The *axes* values are the names of fields or links that *must* exist and be direct
- children of this NXdata group.
-
- An axis slice is specified using a field named ``AXISNAME_indices``
- as described below (where the text shown here as ``AXISNAME`` is to be
- replaced by the actual field name).
-
- When no default axis is available for a particular dimension
- of the plottable data, use a "." in that position.
- Such as::
-
- @axes=["time", ".", "."]
-
- Since there are three items in the list, the *signal* field
- must be a three-dimensional array (rank=3). The first dimension
- is described by the values of a one-dimensional array named ``time``
- while the other two dimensions have no fields to be used as dimension scales.
-
- See examples provided on the NeXus wiki:
- https://www.nexusformat.org/2014_axes_and_uncertainties.html
-
- If there are no axes at all (such as with a stack of images),
- the axes attribute can be omitted.
-
-
-
-
-
-
- Each ``AXISNAME_indices`` attribute indicates the dependency
- relationship of the ``AXISNAME`` field (where ``AXISNAME``
- is the name of a field that exists in this ``NXdata`` group)
- with one or more dimensions of the plottable data.
-
- Integer array that defines the indices of the *signal* field
- (that field will be a multidimensional array)
- which need to be used in the *AXISNAME* field in
- order to reference the corresponding axis value.
-
- The first index of an array is ``0`` (zero).
-
- Here, *AXISNAME* is to be replaced by the name of each
- field described in the ``axes`` attribute.
- An example with 2-D data, :math:`d(t,P)`, will illustrate::
-
- data_2d:NXdata
- @signal="data"
- @axes=["time", "pressure"]
- @time_indices=0
- @pressure_indices=1
- data: float[1000,20]
- time: float[1000]
- pressure: float[20]
-
- This attribute is to be provided in all situations.
- However, if the indices attributes are missing
- (such as for data files written before this specification),
- file readers are encouraged to make their best efforts
- to plot the data.
- Thus the implementation of the
- ``AXISNAME_indices`` attribute is based on the model of
- "strict writer, liberal reader".
-
- .. note:: Attributes potentially containing multiple values
- (axes and _indices) are to be written as string or integer arrays,
- to avoid string parsing in reading applications.
-
-
-
-
- :ref:`NXdata` describes the plottable data and related dimension scales.
-
- .. index:: plotting
-
- It is strongly recommended that there is at least one :ref:`NXdata`
- group in each :ref:`NXentry` group.
- Note that the fields named ``AXISNAME`` and ``DATA``
- can be defined with different names.
- (Upper case is used to indicate that the actual name is left to the user.)
- The ``signal`` and ``axes`` attributes of the
- ``data`` group define which items
- are plottable data and which are *dimension scales*, respectively.
-
- :ref:`NXdata` is used to implement one of the basic motivations in NeXus,
- to provide a default plot for the data of this :ref:`NXentry`. The actual data
- might be stored in another group and (hard) linked to the :ref:`NXdata` group.
-
- * Each :ref:`NXdata` group will define one field as the default
- plottable data. The value of the ``signal`` attribute names this field.
- Additional fields may be used to describe the dimension scales and
- uncertainities.
- The ``auxiliary_signals`` attribute is a list of the other fields
- to be plotted with the ``signal`` data.
- * The plottable data may be of arbitrary rank up to a maximum
- of ``NX_MAXRANK=32`` (for compatibility with backend file formats).
- * The plottable data will be named as the value of
- the group ``signal`` attribute, such as::
-
- data:NXdata
- @signal = "counts"
- @axes = "mr"
- @mr_indices = 0
- counts: float[100] --> the default dependent data
- mr: float[100] --> the default independent data
-
- The field named in the ``signal`` attribute **must** exist, either
- directly as a NeXus field or defined through a link.
-
- * The group ``axes`` attribute will name the
- *dimension scale* associated with the plottable data.
-
- If available, the standard deviations of the data are to be
- stored in a data set of the same rank and dimensions, with the name ``errors``.
-
- * For each data dimension, there should be a one-dimensional array
- of the same length.
- * These one-dimensional arrays are the *dimension scales* of the
- data, *i.e*. the values of the independent variables at which the data
- is measured, such as scattering angle or energy transfer.
-
- .. index:: link
- .. index:: axes (attribute)
-
- The preferred method to associate each data dimension with
- its respective dimension scale is to specify the field name
- of each dimension scale in the group ``axes`` attribute as a string list.
- Here is an example for a 2-D data set *data* plotted
- against *time*, and *pressure*. (An additional *temperature* data set
- is provided and could be selected as an alternate for the *pressure* axis.)::
-
- data_2d:NXdata
- @signal="data"
- @axes=["time", "pressure"]
- @pressure_indices=1
- @temperature_indices=1
- @time_indices=0
- data: float[1000,20]
- pressure: float[20]
- temperature: float[20]
- time: float[1000]
-
- .. rubric:: Old methods to identify the plottable data
-
- There are two older methods of associating
- each data dimension to its respective dimension scale.
- Both are now out of date and
- should not be used when writing new data files.
- However, client software should expect to see data files
- written with any of these methods.
-
- * One method uses the ``axes``
- attribute to specify the names of each *dimension scale*.
-
- * The oldest method uses the ``axis`` attribute on each
- *dimension scale* to identify
- with an integer the axis whose value is the number of the dimension.
-
- .. index: !plot; axis label
- plot, axis units
- units
- dimension scale
-
- Each axis of the plot may be labeled with information from the
- dimension scale for that axis. The optional ``@long_name`` attribute
- is provided as the axis label default. If ``@long_name`` is not
- defined, then use the name of the dimension scale. A ``@units`` attribute,
- if available, may be added to the axis label for further description.
- See the section :ref:`Design-Units` for more information.
-
- .. index: !plot; axis title
-
- The optional ``title`` field, if available, provides a suggested
- title for the plot. If no ``title`` field is found in the :ref:`NXdata`
- group, look for a ``title`` field in the parent :ref:`NXentry` group,
- with a fallback to displaying the path to the :ref:`NXdata` group.
-
- NeXus is about how to find and annotate the data to be plotted
- but not to describe how the data is to be plotted.
- (https://www.nexusformat.org/NIAC2018Minutes.html#nxdata-plottype--attribute)
-
-
-
- Dimension scale defining an axis of the data.
- Client is responsible for defining the dimensions of the data.
- The name of this field may be changed to fit the circumstances.
- Standard NeXus client tools will use the attributes to determine
- how to use this field.
-
-
-
- A *dimension scale* must have a rank of 1 and has length ``n``.
-
-
-
- Axis label
-
-
- ``0|false``: single value,
- ``1|true``: multiple values
-
-
- Index of first good value
- Index of last good value
-
-
- Index (positive integer) identifying this specific set of numbers.
-
- N.B. The ``axis`` attribute is the old way of designating a link.
- Do not use the ``axes`` attribute with the ``axis`` attribute.
- The ``axes`` *group* attribute is now preferred.
-
-
-
-
-
- "Errors" (meaning *uncertainties* or *standard deviations*)
- associated with any field named ``FIELDNAME`` in this ``NXdata``
- group (e.g. an axis, signal or auxiliary signal).
-
- The dimensions of the ``FIELDNAME_errors`` field must match
- the dimensions of the ``FIELDNAME`` field.
-
-
-
-
- .. index:: plotting
-
- This field contains the data values to be used as the
- NeXus *plottable data*.
- Client is responsible for defining the dimensions of the data.
- The name of this field may be changed to fit the circumstances.
- Standard NeXus client tools will use the attributes to determine
- how to use this field.
-
-
-
- The rank (``dataRank``) of the ``data`` must satisfy
- ``1 <= dataRank <= NX_MAXRANK=32``.
- At least one ``dim`` must have length ``n``.
-
-
-
-
- .. index:: plotting
-
- Plottable (independent) axis, indicate index number.
- Only one field in a :ref:`NXdata` group may have the
- ``signal=1`` attribute.
- Do not use the ``signal`` attribute with the ``axis`` attribute.
-
-
-
-
- Defines the names of the dimension scales
- (independent axes) for this data set
- as a colon-delimited array.
- NOTE: The ``axes`` attribute is the preferred
- method of designating a link.
- Do not use the ``axes`` attribute with the ``axis`` attribute.
-
-
-
- data label
-
-
-
-
- Standard deviations of data values -
- the data array is identified by the group attribute ``signal``.
- The ``errors`` array must have the same dimensions as ``DATA``.
- Client is responsible for defining the dimensions of the data.
-
-
-
- The ``errors`` must have
- the same rank (``dataRank``)
- as the ``data``.
- At least one ``dim`` must have length "n".
-
-
-
-
-
- The elements in data are usually float values really. For
- efficiency reasons these are usually stored as integers
- after scaling with a scale factor. This value is the scale
- factor. It is required to get the actual physical value,
- when necessary.
-
-
-
-
- An optional offset to apply to the values in data.
-
-
-
-
- Title for the plot.
-
-
-
-
- This is an array holding the values to use for the x-axis of
- data. The units must be appropriate for the measurement.
-
-
-
-
-
-
-
- This is an array holding the values to use for the y-axis of
- data. The units must be appropriate for the measurement.
-
-
-
-
-
-
-
- This is an array holding the values to use for the z-axis of
- data. The units must be appropriate for the measurement.
-
-
-
-
-
+
+
+
+
+ These symbols will be used below to coordinate fields with the same
+ shape.
+
+
+
+ rank of the ``DATA`` field
+
+
+
+
+ length of the ``AXISNAME`` field
+
+
+
+
+ length of the ``x`` field
+
+
+
+
+ length of the ``y`` field
+
+
+
+
+ length of the ``z`` field
+
+
+
+
+ :ref:`NXdata` describes the plottable data and related dimension scales.
+
+ .. index:: plotting
+
+ It is strongly recommended that there is at least one :ref:`NXdata`
+ group in each :ref:`NXentry` group.
+ Note that the fields named ``AXISNAME`` and ``DATA``
+ can be defined with different names.
+ (Upper case is used to indicate that the actual name is left to the user.)
+ The ``signal`` and ``axes`` attributes of the
+ ``data`` group define which items
+ are plottable data and which are *dimension scales*, respectively.
+
+ :ref:`NXdata` is used to implement one of the basic motivations in NeXus,
+ to provide a default plot for the data of this :ref:`NXentry`. The actual data
+ might be stored in another group and (hard) linked to the :ref:`NXdata` group.
+
+ * Each :ref:`NXdata` group will define one field as the default
+ plottable data. The value of the ``signal`` attribute names this field.
+ Additional fields may be used to describe the dimension scales and
+ uncertainities.
+ The ``auxiliary_signals`` attribute is a list of the other fields
+ to be plotted with the ``signal`` data.
+ * The plottable data may be of arbitrary rank up to a maximum
+ of ``NX_MAXRANK=32`` (for compatibility with backend file formats).
+ * The plottable data will be named as the value of
+ the group ``signal`` attribute, such as::
+
+ data:NXdata
+ @signal = "counts"
+ @axes = "mr"
+ @mr_indices = 0
+ counts: float[100] --> the default dependent data
+ mr: float[100] --> the default independent data
+
+ The field named in the ``signal`` attribute **must** exist, either
+ directly as a NeXus field or defined through a link.
+
+ * The group ``axes`` attribute will name the
+ *dimension scale* associated with the plottable data.
+
+ If available, the standard deviations of the data are to be
+ stored in a data set of the same rank and dimensions, with the name ``errors``.
+
+ * For each data dimension, there should be a one-dimensional array
+ of the same length.
+ * These one-dimensional arrays are the *dimension scales* of the
+ data, *i.e*. the values of the independent variables at which the data
+ is measured, such as scattering angle or energy transfer.
+
+ .. index:: link
+ .. index:: axes (attribute)
+
+ The preferred method to associate each data dimension with
+ its respective dimension scale is to specify the field name
+ of each dimension scale in the group ``axes`` attribute as a string list.
+ Here is an example for a 2-D data set *data* plotted
+ against *time*, and *pressure*. (An additional *temperature* data set
+ is provided and could be selected as an alternate for the *pressure* axis.)::
+
+ data_2d:NXdata
+ @signal="data"
+ @axes=["time", "pressure"]
+ @pressure_indices=1
+ @temperature_indices=1
+ @time_indices=0
+ data: float[1000,20]
+ pressure: float[20]
+ temperature: float[20]
+ time: float[1000]
+
+ .. rubric:: Old methods to identify the plottable data
+
+ There are two older methods of associating
+ each data dimension to its respective dimension scale.
+ Both are now out of date and
+ should not be used when writing new data files.
+ However, client software should expect to see data files
+ written with any of these methods.
+
+ * One method uses the ``axes``
+ attribute to specify the names of each *dimension scale*.
+
+ * The oldest method uses the ``axis`` attribute on each
+ *dimension scale* to identify
+ with an integer the axis whose value is the number of the dimension.
+
+ .. index: !plot; axis label
+ plot, axis units
+ units
+ dimension scale
+
+ Each axis of the plot may be labeled with information from the
+ dimension scale for that axis. The optional ``@long_name`` attribute
+ is provided as the axis label default. If ``@long_name`` is not
+ defined, then use the name of the dimension scale. A ``@units`` attribute,
+ if available, may be added to the axis label for further description.
+ See the section :ref:`Design-Units` for more information.
+
+ .. index: !plot; axis title
+
+ The optional ``title`` field, if available, provides a suggested
+ title for the plot. If no ``title`` field is found in the :ref:`NXdata`
+ group, look for a ``title`` field in the parent :ref:`NXentry` group,
+ with a fallback to displaying the path to the :ref:`NXdata` group.
+
+ NeXus is about how to find and annotate the data to be plotted
+ but not to describe how the data is to be plotted.
+ (https://www.nexusformat.org/NIAC2018Minutes.html#nxdata-plottype--attribute)
+
+
+
+ .. index:: plotting
+
+ Array of strings holding the :ref:`names <validItemName>` of additional
+ signals to be plotted with the default :ref:`signal </NXdata@signal-attribute>`.
+ These fields or links *must* exist and be direct children of this NXdata group.
+
+ Each auxiliary signal needs to be of the same shape as the default signal.
+
+ .. NIAC2018:
+ https://www.nexusformat.org/NIAC2018Minutes.html
+
+
+
+
+ .. index:: find the default plottable data
+ .. index:: plotting
+ .. index:: signal attribute value
+
+ Declares which NeXus field is the default.
+ The value is the :ref:`name <validItemName>` of the data field to be plotted.
+ This field or link *must* exist and be a direct child of this NXdata group.
+
+ It is recommended (as of NIAC2014) to use this attribute
+ rather than adding a signal attribute to the field.
+ See https://www.nexusformat.org/2014_How_to_find_default_data.html
+ for a summary of the discussion.
+
+
+
+
+ .. index:: plotting
+
+ Array of strings holding the :ref:`names <validItemName>` of
+ the independent data fields used in the default plot for all of
+ the dimensions of the :ref:`signal </NXdata@signal-attribute>`
+ as well as any :ref:`auxiliary signals </NXdata@auxiliary_signals-attribute>`.
+
+ One name is provided for every dimension in the *signal* or *auxiliary signal* fields.
+
+ The *axes* values are the names of fields or links that *must* exist and be direct
+ children of this NXdata group.
+
+ An axis slice is specified using a field named ``AXISNAME_indices``
+ as described below (where the text shown here as ``AXISNAME`` is to be
+ replaced by the actual field name).
+
+ When no default axis is available for a particular dimension
+ of the plottable data, use a "." in that position.
+ Such as::
+
+ @axes=["time", ".", "."]
+
+ Since there are three items in the list, the *signal* field
+ must be a three-dimensional array (rank=3). The first dimension
+ is described by the values of a one-dimensional array named ``time``
+ while the other two dimensions have no fields to be used as dimension scales.
+
+ See examples provided on the NeXus wiki:
+ https://www.nexusformat.org/2014_axes_and_uncertainties.html
+
+ If there are no axes at all (such as with a stack of images),
+ the axes attribute can be omitted.
+
+
+
+
+
+
+ Each ``AXISNAME_indices`` attribute indicates the dependency
+ relationship of the ``AXISNAME`` field (where ``AXISNAME``
+ is the name of a field that exists in this ``NXdata`` group)
+ with one or more dimensions of the plottable data.
+
+ Integer array that defines the indices of the *signal* field
+ (that field will be a multidimensional array)
+ which need to be used in the *AXISNAME* field in
+ order to reference the corresponding axis value.
+
+ The first index of an array is ``0`` (zero).
+
+ Here, *AXISNAME* is to be replaced by the name of each
+ field described in the ``axes`` attribute.
+ An example with 2-D data, :math:`d(t,P)`, will illustrate::
+
+ data_2d:NXdata
+ @signal="data"
+ @axes=["time", "pressure"]
+ @time_indices=0
+ @pressure_indices=1
+ data: float[1000,20]
+ time: float[1000]
+ pressure: float[20]
+
+ This attribute is to be provided in all situations.
+ However, if the indices attributes are missing
+ (such as for data files written before this specification),
+ file readers are encouraged to make their best efforts
+ to plot the data.
+ Thus the implementation of the
+ ``AXISNAME_indices`` attribute is based on the model of
+ "strict writer, liberal reader".
+
+ .. note:: Attributes potentially containing multiple values
+ (axes and _indices) are to be written as string or integer arrays,
+ to avoid string parsing in reading applications.
+
+
+
+
+ Points to the path of a field defining the axis on which the ``AXISNAME`` axis depends.
+
+ This concept allows to link an axis to a respective field in the NeXus hierarchy, thereby
+ defining the physical quantity it represents.
+
+ Here, *AXISNAME* is to be replaced by the name of each
+ field described in the ``axes`` attribute.
+
+ Examples:
+ If a calibration has been performed, ``@AXISNAME_depends`` links to the result of
+ that calibration:
+
+ @AXISNAME_depends: '/entry/process/calibration/calibrated_axis'
+
+ If the axis corresponds to a coordinate of a detector, ``@AXISNAME_depends`` links
+ to that detector axis:
+
+ @AXISNAME_depends: '/entry/instrument/detector/axis/some_axis' for a 2D detector
+
+ If the axis is a scanned motor, ``@AXISNAME_depends`` links to the transformation
+ describing the respective motion, e.g.:
+
+ @AXISNAME_depends: '/entry/instrument/detector/transformations/some_transformation' for a motion of the detector
+
+
+
+
+ Dimension scale defining an axis of the data.
+ Client is responsible for defining the dimensions of the data.
+ The name of this field may be changed to fit the circumstances.
+ Standard NeXus client tools will use the attributes to determine
+ how to use this field.
+
+
+
+ A *dimension scale* must have a rank of 1 and has length ``n``.
+
+
+
+
+
+ Axis label
+
+
+
+
+ ``0|false``: single value,
+ ``1|true``: multiple values
+
+
+
+
+ Index of first good value
+
+
+
+
+ Index of last good value
+
+
+
+
+ Index (positive integer) identifying this specific set of numbers.
+
+ N.B. The ``axis`` attribute is the old way of designating a link.
+ Do not use the ``axes`` attribute with the ``axis`` attribute.
+ The ``axes`` *group* attribute is now preferred.
+
+
+
+
+
+ "Errors" (meaning *uncertainties* or *standard deviations*)
+ associated with any field named ``FIELDNAME`` in this ``NXdata``
+ group (e.g. an axis, signal or auxiliary signal).
+
+ The dimensions of the ``FIELDNAME_errors`` field must match
+ the dimensions of the ``FIELDNAME`` field.
+
+
+
+
+ .. index:: plotting
+
+ This field contains the data values to be used as the
+ NeXus *plottable data*.
+ Client is responsible for defining the dimensions of the data.
+ The name of this field may be changed to fit the circumstances.
+ Standard NeXus client tools will use the attributes to determine
+ how to use this field.
+
+
+
+ The rank (``dataRank``) of the ``data`` must satisfy
+ ``1 <= dataRank <= NX_MAXRANK=32``.
+ At least one ``dim`` must have length ``n``.
+
+
+
+
+ .. index:: plotting
+
+ Plottable (independent) axis, indicate index number.
+ Only one field in a :ref:`NXdata` group may have the
+ ``signal=1`` attribute.
+ Do not use the ``signal`` attribute with the ``axis`` attribute.
+
+
+
+
+ Defines the names of the dimension scales
+ (independent axes) for this data set
+ as a colon-delimited array.
+ NOTE: The ``axes`` attribute is the preferred
+ method of designating a link.
+ Do not use the ``axes`` attribute with the ``axis`` attribute.
+
+
+
+
+ data label
+
+
+
+
+
+ Standard deviations of data values -
+ the data array is identified by the group attribute ``signal``.
+ The ``errors`` array must have the same dimensions as ``DATA``.
+ Client is responsible for defining the dimensions of the data.
+
+
+
+ The ``errors`` must have
+ the same rank (``dataRank``)
+ as the ``data``.
+ At least one ``dim`` must have length "n".
+
+
+
+
+
+ The elements in data are usually float values really. For
+ efficiency reasons these are usually stored as integers
+ after scaling with a scale factor. This value is the scale
+ factor. It is required to get the actual physical value,
+ when necessary.
+
+
+
+
+ An optional offset to apply to the values in data.
+
+
+
+
+ Title for the plot.
+
+
+
+
+ This is an array holding the values to use for the x-axis of
+ data. The units must be appropriate for the measurement.
+
+
+
+
+
+
+
+ This is an array holding the values to use for the y-axis of
+ data. The units must be appropriate for the measurement.
+
+
+
+
+
+
+
+ This is an array holding the values to use for the z-axis of
+ data. The units must be appropriate for the measurement.
+
+
+
+
+
diff --git a/base_classes/NXdetector.nxdl.xml b/base_classes/NXdetector.nxdl.xml
index 523f0916f1..d43803c732 100644
--- a/base_classes/NXdetector.nxdl.xml
+++ b/base_classes/NXdetector.nxdl.xml
@@ -8,7 +8,7 @@
# This library is free software; you can redistribute it and/or
# modify it under the terms of the GNU Lesser General Public
# License as published by the Free Software Foundation; either
-# version 2 of the License, or (at your option) any later version.
+# version 3 of the License, or (at your option) any later version.
#
# This library is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
@@ -72,14 +72,12 @@
-
+
-
+
+ Calibrated kinetic energy axis.
+
+ This concept is related to term `3.35`_ of the ISO 18115-1:2023 standard.
+
+ .. _3.35: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:3.35
+
+
+ -
+
+ Calibrated binding energy axis.
+
+ This concept is related to term `12.16`_ of the ISO 18115-1:2023 standard.
+
+ .. _12.16: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:12.16
+
+
+
+
+
+
+
+
+
+ Calibrated x axis in k-space.
+ Units are 1/Angström.
+
+
+
+
+
+
+ Calibrated y axis in k-space.
+ Units are 1/Angström
+
+
+
+
+
+
+ Calibrated z axis in k-space.
+ Units are 1/Angström.
+
+
+
+
+
+
+ Fast-axis angular coordinate (or second slow axis if angularly integrated).
+
+
+
+
+
+
+ Slow-axis angular coordinate (or second fast axis if simultaneously dispersed in
+ 2 dimensions)
+
+
+
+
+
+
+ Fast-axis spatial coordinate (or second slow axis if spatially integrated)
+
+
+
+
+
+
+ Slow-axis spatial coordinate (or second fast axis if simultaneously dispersed in
+ 2 dimensions)
+
+
+
+
+
+
+ Calibrated delay time.
+
+
+
+
+
+
+ Linear polarization angle of the incoming or outgoing beam.
+
+ Could be a link to /entry/instrument/beam/incident_polarization_angle or
+ /entry/instrument/beam/final_polarization_angle if they exist.
+
+
+
+
+
+
+ Ellipticity of the incoming or outgoing beam.
+
+ Can be any of linear polarization angle (degrees), ellipticity (arb. units).
+ Could be a link to /entry/instrument/beam/incident_ellipticity or
+ /entry/instrument/beam/final_ellipticity if they exist.
+
+
+
+
+
diff --git a/contributed_definitions/NXdata_mpes_detector.nxdl.xml b/contributed_definitions/NXdata_mpes_detector.nxdl.xml
new file mode 100644
index 0000000000..c681b95425
--- /dev/null
+++ b/contributed_definitions/NXdata_mpes_detector.nxdl.xml
@@ -0,0 +1,189 @@
+
+
+
+
+
+ :ref:`NXdata_mpes_detector` describes the plottable data and related dimension scales
+ for raw detector data in MPES experiments.
+
+ It extends the NXdata class and provides a glossary of explicitly named axis names
+ which are typical for raw MPES data.
+
+
+
+ -
+
+ (Un)calibrated kinetic energy axis.
+
+ This concept is related to term `3.35`_ of the ISO 18115-1:2023 standard.
+
+ .. _3.35: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:3.35
+
+
+ -
+
+ (Un)calibrated binding energy axis.
+
+ This concept is related to term `12.16`_ of the ISO 18115-1:2023 standard.
+
+ .. _12.16: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:12.16
+
+
+
+
+
+
+
+
+
+ (Un)calibrated x axis in k-space.
+ Units are 1/Angström.
+
+
+
+
+
+
+ (Un)calibrated y axis in k-space.
+ Units are 1/Angström
+
+
+
+
+
+
+ (Un)calibrated z axis in k-space.
+ Units are 1/Angström.
+
+
+
+
+
+
+ Fast-axis angular coordinate (or second slow axis if angularly integrated).
+
+
+
+
+
+
+ Slow-axis angular coordinate (or second fast axis if simultaneously dispersed in two
+ dimensions)
+
+
+
+
+
+
+ Fast-axis spatial coordinate (or second slow axis if spatially integrated)
+
+
+
+
+
+
+ Slow-axis spatial coordinate (or second fast axis if simultaneously dispersed in two
+ dimensions)
+
+
+
+
+
+
+
+ Total time of flight
+
+
+
+
+
+
+ Time-of-flight values, analog-to-digital converted.
+
+
+
+
+
+
+ (Un)calibrated delay time.
+
+
+
+
+
+
+ Linear polarization angle of the incoming or outgoing beam.
+
+
+
+
+
+
+ Ellipticity of the incoming or outgoing beam.
+
+
+
+
+
+
+ Describes an axis which is coming from outside the detectors scope.
+
+ Think of a detector just being triggered for readout by the rest of the experimental
+ setup - it would just know that it collected N images, which would flatten the external
+ parameters to one axis, too.
+ This can then be linked, e.g. with NXcalibration, to the appropriate fields in the instrument
+ and write it to the top-level NXdata.
+
+
+
diff --git a/contributed_definitions/NXelectron_level.nxdl.xml b/contributed_definitions/NXelectron_level.nxdl.xml
new file mode 100644
index 0000000000..b39e0fd721
--- /dev/null
+++ b/contributed_definitions/NXelectron_level.nxdl.xml
@@ -0,0 +1,918 @@
+
+
+
+
+
+ Electronic level probed in X-ray spectroscopy or resonance experiments.
+
+
+
+ Symbol of the chemical element.
+
+ For each, the atomic number, common English name, and standard atomic weight are also given.
+
+
+ -
+
+ Z=1, name="hydrogen", standard_atomic_weight=1.0078
+
+
+ -
+
+ Z=2, name="helium", standard_atomic_weight=4.0026
+
+
+ -
+
+ Z=3, name="lithium", standard_atomic_weight=6.94
+
+
+ -
+
+ Z=4, name="beryllium", standard_atomic_weight=9.0122
+
+
+ -
+
+ Z=5, name="boron", standard_atomic_weight=10.81
+
+
+ -
+
+ Z=6, name="carbon", standard_atomic_weight=12.011
+
+
+ -
+
+ Z=7, name="nitrogen", standard_atomic_weight=14.007
+
+
+ -
+
+ Z=8, name="oxygen", standard_atomic_weight=15.999
+
+
+ -
+
+ Z=9, name="fluorine", standard_atomic_weight=18.9984
+
+
+ -
+
+ Z=10, name="neon", standard_atomic_weight=20.1797
+
+
+ -
+
+ Z=11, name="sodium", standard_atomic_weight=22.9898
+
+
+ -
+
+ Z=12, name="magnesium", standard_atomic_weight=24.305
+
+
+ -
+
+ Z=13, name="aluminum", standard_atomic_weight=26.9815
+
+
+ -
+
+ Z=14, name="silicon", standard_atomic_weight=28.085
+
+
+ -
+
+ Z=15, name="phosphorus", standard_atomic_weight=30.9738
+
+
+ -
+
+ Z=16, name="sulfur", standard_atomic_weight=32.06
+
+
+ -
+
+ Z=17, name="chlorine", standard_atomic_weight=35.453
+
+
+ -
+
+ Z=18, name="argon", standard_atomic_weight=39.948
+
+
+ -
+
+ Z=19, name="potassium", standard_atomic_weight=39.0983
+
+
+ -
+
+ Z=20, name="calcium", standard_atomic_weight=40.078
+
+
+ -
+
+ Z=21, name="scandium", standard_atomic_weight=44.9559
+
+
+ -
+
+ Z=22, name="titanium", standard_atomic_weight=47.867
+
+
+ -
+
+ Z=23, name="vanadium", standard_atomic_weight=50.9415
+
+
+ -
+
+ Z=24, name="chromium", standard_atomic_weight=51.996
+
+
+ -
+
+ Z=25, name="manganese", standard_atomic_weight=54.938
+
+
+ -
+
+ Z=26, name="iron", standard_atomic_weight=55.845
+
+
+ -
+
+ Z=27, name="cobalt", standard_atomic_weight=58.9332
+
+
+ -
+
+ Z=28, name="nickel", standard_atomic_weight=58.6934
+
+
+ -
+
+ Z=29, name="copper", standard_atomic_weight=63.546
+
+
+ -
+
+ Z=30, name="zinc", standard_atomic_weight=65.38
+
+
+ -
+
+ Z=31, name="gallium", standard_atomic_weight=69.72
+
+
+ -
+
+ Z=32, name="germanium", standard_atomic_weight=72.63
+
+
+ -
+
+ Z=33, name="arsenic", standard_atomic_weight=74.9216
+
+
+ -
+
+ Z=34, name="selenium", standard_atomic_weight=78.971
+
+
+ -
+
+ Z=35, name="bromine", standard_atomic_weight=79.904
+
+
+ -
+
+ Z=36, name="krypton", standard_atomic_weight=83.798
+
+
+ -
+
+ Z=37, name="rubidium", standard_atomic_weight=85.4678
+
+
+ -
+
+ Z=38, name="strontium", standard_atomic_weight=87.62
+
+
+ -
+
+ Z=39, name="yttrium", standard_atomic_weight=88.9058
+
+
+ -
+
+ Z=40, name="zirconium", standard_atomic_weight=91.224
+
+
+ -
+
+ Z=41, name="niobium", standard_atomic_weight=92.9064
+
+
+ -
+
+ Z=42, name="molybdenum", standard_atomic_weight=95.95
+
+
+ -
+
+ Z=43, name="technetium", standard_atomic_weight=97.907
+
+
+ -
+
+ Z=44, name="ruthenium", standard_atomic_weight=101.07
+
+
+ -
+
+ Z=45, name="rhodium", standard_atomic_weight=102.906
+
+
+ -
+
+ Z=46, name="palladium", standard_atomic_weight=106.42
+
+
+ -
+
+ Z=47, name="silver", standard_atomic_weight=107.868
+
+
+ -
+
+ Z=48, name="cadmium", standard_atomic_weight=112.414
+
+
+ -
+
+ Z=49, name="indium", standard_atomic_weight=114.818
+
+
+ -
+
+ Z=50, name="tin", standard_atomic_weight=118.71
+
+
+ -
+
+ Z=51, name="antimony", standard_atomic_weight=121.76
+
+
+ -
+
+ Z=52, name="tellurium", standard_atomic_weight=127.6
+
+
+ -
+
+ Z=53, name="iodine", standard_atomic_weight=126.905
+
+
+ -
+
+ Z=54, name="xenon", standard_atomic_weight=131.293
+
+
+ -
+
+ Z=55, name="cesium", standard_atomic_weight=132.905
+
+
+ -
+
+ Z=56, name="barium", standard_atomic_weight=137.327
+
+
+ -
+
+ Z=57, name="lanthanum", standard_atomic_weight=138.905
+
+
+ -
+
+ Z=58, name="cerium", standard_atomic_weight=140.116
+
+
+ -
+
+ Z=59, name="praseodymium", standard_atomic_weight=140.908
+
+
+ -
+
+ Z=60, name="neodymium", standard_atomic_weight=144.242
+
+
+ -
+
+ Z=61, name="promethium", standard_atomic_weight=145.0
+
+
+ -
+
+ Z=62, name="samarium", standard_atomic_weight=150.36
+
+
+ -
+
+ Z=63, name="europium", standard_atomic_weight=151.96
+
+
+ -
+
+ Z=64, name="gadolinium", standard_atomic_weight=157.25
+
+
+ -
+
+ Z=65, name="terbium", standard_atomic_weight=158.925
+
+
+ -
+
+ Z=66, name="dysprosium", standard_atomic_weight=162.5
+
+
+ -
+
+ Z=67, name="holmium", standard_atomic_weight=164.93
+
+
+ -
+
+ Z=68, name="erbium", standard_atomic_weight=167.259
+
+
+ -
+
+ Z=69, name="thulium", standard_atomic_weight=168.934
+
+
+ -
+
+ Z=70, name="ytterbium", standard_atomic_weight=173.045
+
+
+ -
+
+ Z=71, name="lutetium", standard_atomic_weight=174.967
+
+
+ -
+
+ Z=72, name="hafnium", standard_atomic_weight=178.49
+
+
+ -
+
+ Z=73, name="tantalum", standard_atomic_weight=180.948
+
+
+ -
+
+ Z=74, name="tungsten", standard_atomic_weight=183.84
+
+
+ -
+
+ Z=75, name="rhenium", standard_atomic_weight=186.207
+
+
+ -
+
+ Z=76, name="osmium", standard_atomic_weight=190.23
+
+
+ -
+
+ Z=77, name="iridium", standard_atomic_weight=192.217
+
+
+ -
+
+ Z=78, name="platinum", standard_atomic_weight=195.084
+
+
+ -
+
+ Z=79, name="gold", standard_atomic_weight=196.967
+
+
+ -
+
+ Z=80, name="mercury", standard_atomic_weight=200.592
+
+
+ -
+
+ Z=81, name="thallium", standard_atomic_weight=204.383
+
+
+ -
+
+ Z=82, name="lead", standard_atomic_weight=207.2
+
+
+ -
+
+ Z=83, name="bismuth", standard_atomic_weight=208.98
+
+
+ -
+
+ Z=84, name="polonium", standard_atomic_weight=209.0
+
+
+ -
+
+ Z=85, name="astatine", standard_atomic_weight=210.0
+
+
+ -
+
+ Z=86, name="radon", standard_atomic_weight=222.0
+
+
+ -
+
+ Z=87, name="francium", standard_atomic_weight=223.0
+
+
+ -
+
+ Z=88, name="radium", standard_atomic_weight=226.0
+
+
+ -
+
+ Z=89, name="actinium", standard_atomic_weight=227.0
+
+
+ -
+
+ Z=90, name="thorium", standard_atomic_weight=232.038
+
+
+ -
+
+ Z=91, name="protactinium", standard_atomic_weight=231.036
+
+
+ -
+
+ Z=92, name="uranium", standard_atomic_weight=238.029
+
+
+ -
+
+ Z=93, name="neptunium", standard_atomic_weight=237.048
+
+
+ -
+
+ Z=94, name="plutonium", standard_atomic_weight=239.052
+
+
+ -
+
+ Z=95, name="americium", standard_atomic_weight=243.0
+
+
+ -
+
+ Z=96, name="curium", standard_atomic_weight=247.0
+
+
+ -
+
+ Z=97, name="berkelium", standard_atomic_weight=247.0
+
+
+ -
+
+ Z=98, name="californium", standard_atomic_weight=251.0
+
+
+ -
+
+ Z=99, name="einsteinium", standard_atomic_weight=252
+
+
+ -
+
+ Z=100, name="fermium", standard_atomic_weight=257
+
+
+ -
+
+ Z=101, name="mendelevium", standard_atomic_weight=258
+
+
+ -
+
+ Z=102, name="nobelium", standard_atomic_weight=259
+
+
+ -
+
+ Z=103, name="lawrencium", standard_atomic_weight=266
+
+
+ -
+
+ Z=104, name="rutherfordium", standard_atomic_weight=267
+
+
+ -
+
+ Z=105, name="dubnium", standard_atomic_weight=268
+
+
+ -
+
+ Z=106, name="seaborgium", standard_atomic_weight=269
+
+
+ -
+
+ Z=107, name="bohrium", standard_atomic_weight=270
+
+
+ -
+
+ Z=108, name="hassium", standard_atomic_weight=269
+
+
+ -
+
+ Z=109, name="meitnerium", standard_atomic_weight=278
+
+
+ -
+
+ Z=110, name="darmstadtium", standard_atomic_weight=281
+
+
+ -
+
+ Z=111, name="roentgenium", standard_atomic_weight=282
+
+
+ -
+
+ Z=112, name="copernicium", standard_atomic_weight=285
+
+
+ -
+
+ Z=113, name="nihonium", standard_atomic_weight=286
+
+
+ -
+
+ Z=114, name="flerovium", standard_atomic_weight=289
+
+
+ -
+
+ Z=115, name="moscovium", standard_atomic_weight=290
+
+
+ -
+
+ Z=116, name="livermorium", standard_atomic_weight=293
+
+
+ -
+
+ Z=117, name="tennessine", standard_atomic_weight=294
+
+
+ -
+
+ Z=118, name="oganesson", standard_atomic_weight=294
+
+
+
+
+
+
+ IUPAC symbol of the electronic level.
+ For each level, the electronic orbital configuration is also given
+
+ For reference, see Jenkins, R., Manne, R., Robin, R., & Senemaud, C. (1991).
+ IUPAC—nomenclature system for x-ray spectroscopy. X-Ray Spectrometry, 20(3), 149-155.
+
+
+ -
+
+ same as 1s in level_xray
+
+
+ -
+
+ 2s
+
+
+ -
+
+ 2p_{1/2}
+
+
+ -
+
+ 2p_{3/2}
+
+
+ -
+
+ 3s
+
+
+ -
+
+ 3p_{1/2}
+
+
+ -
+
+ 3p_{3/2}
+
+
+ -
+
+ 3d_{3/2}
+
+
+ -
+
+ 3d_{5/2}
+
+
+ -
+
+ 4s
+
+
+ -
+
+ 4p_{1/2}
+
+
+ -
+
+ 4p_{3/2}
+
+
+ -
+
+ 4d_{3/2}
+
+
+ -
+
+ 4d_{5/2}
+
+
+ -
+
+ 4f_{5/2}
+
+
+ -
+
+ 4f_{7/2}
+
+
+ -
+
+ 5s
+
+
+ -
+
+ 5p_{1/2}
+
+
+ -
+
+ 5p_{3/2}
+
+
+ -
+
+ 5d_{3/2}
+
+
+ -
+
+ 5d_{5/2}
+
+
+ -
+
+ 5f_{5/2}
+
+
+ -
+
+ 5f_{7/2}
+
+
+ -
+
+ 6s
+
+
+ -
+
+ 6p_{1/2}
+
+
+ -
+
+ 6p_{3/2}
+
+
+
+
+
+
+ Electronic orbital configuration of the electronic level.
+
+
+ -
+
+ same as K in level_xray
+
+
+ -
+
+ L1
+
+
+ -
+
+ L3
+
+
+ -
+
+ M1
+
+
+ -
+
+ M2
+
+
+ -
+
+ M3
+
+
+ -
+
+ M4
+
+
+ -
+
+ M5
+
+
+ -
+
+ N1
+
+
+ -
+
+ N2
+
+
+ -
+
+ N3
+
+
+ -
+
+ N4
+
+
+ -
+
+ N5
+
+
+ -
+
+ N6
+
+
+ -
+
+ N7
+
+
+ -
+
+ O1
+
+
+ -
+
+ O2
+
+
+ -
+
+ O3
+
+
+ -
+
+ O4
+
+
+ -
+
+ O5
+
+
+ -
+
+ O6
+
+
+ -
+
+ O7
+
+
+ -
+
+ P1
+
+
+ -
+
+ P2
+
+
+ -
+
+ P3
+
+
+
+
+
+
+ description of X-ray electronic level
+
+
+
+
+ .. index:: plotting
+
+ Declares which child group contains a path leading
+ to a :ref:`NXdata` group.
+
+ It is recommended (as of NIAC2014) to use this attribute
+ to help define the path to the default dataset to be plotted.
+ See https://www.nexusformat.org/2014_How_to_find_default_data.html
+ for a summary of the discussion.
+
+
+
diff --git a/contributed_definitions/NXelectronanalyser.nxdl.xml b/contributed_definitions/NXelectronanalyser.nxdl.xml
index 821edaae2d..633920ace2 100644
--- a/contributed_definitions/NXelectronanalyser.nxdl.xml
+++ b/contributed_definitions/NXelectronanalyser.nxdl.xml
@@ -1,10 +1,10 @@
-
+
-
+
The symbols used in the schema to specify e.g. dimensions of arrays
@@ -37,9 +37,18 @@
Number of slow axes (axes acquired scanning a physical quantity)
+
+
+ Number of data points in the transmission function.
+
+
- Subclass of NXinstrument to describe a photoelectron analyser.
+ Basic class for describing a electron analyzer.
+
+ This concept is related to term `12.59`_ of the ISO 18115-1:2023 standard.
+
+ .. _12.59: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:12.59
@@ -56,26 +65,84 @@
-
+
- Energy resolution of the electron analyser (FWHM of gaussian broadening)
+ Work function of the electron analyser.
+
+ The work function of a uniform surface of a conductor is the minimum energy required to remove
+ an electron from the interior of the solid to a vacuum level immediately outside the solid surface.
+
+ The kinetic energy :math:`E_K` of a photoelectron emitted from an energy-level with binding energy
+ :math:`E_B` below the Fermi level is given by :math:`E_K = h\nu - E_B - e \phi_{\mathrm{sample}}`,
+ where :math:`\phi_{\mathrm{sample}}` is the work function of the sample surface. In PES measurements,
+ the sample and the spectrometer (with work function :math:`\phi_{\mathrm{spectr.}}`) are electrically
+ connected and therefore their Fermi levels are aligned. Due to the difference in local vacuum level
+ between the sample and spectrometer, there exists an electric potential difference (contact potential)
+ :math:`\Delta\phi = \phi_{\mathrm{sample}} - \phi_{\mathrm{spectr.}}`. The measured kinetic energy of
+ a photoelectron in PES is therefore given by
+ :math:`E_K^{\mathrm{meas.}} = h\nu - E_B + \Delta \phi = h\nu - E_B - e \phi_{\mathrm{spectr.}}`.
+ As a result, the measured kinetic energy :math:`E_K^{\mathrm{meas.}}` of a photoelectron is `independent`
+ of the sample work function. Nonetheless, the work function :math:`\phi_s` needs to be known to
+ accurately determine the binding energy scale.
-
+
+
+ Energy resolution of the analyser with the current setting. May be linked from an
+ NXcalibration.
+
+ This concept is related to term `10.24`_ of the ISO 18115-1:2023 standard.
+
+ .. _10.24: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:10.24
+
+
+
+ -
+
+ constant :math:`\Delta E` mode, where the electron retardation (i.e., the fraction of pass energy to
+ kinetic energy, :math:`R = (E_K - WF/E_p)`, is scanned, but the pass energy :math:`E_p` is kept constant.
+ Here, :math:`WF` is the spectrometer work function.
+ This mode is often used in XPS/UPS because the energy resolution does not change with
+ changing energy (due to the constant pass energy).
+
+ Synonyms: constant :math:`\Delta E` mode, constant analyser energy mode, CAE mode, FAT mode
+
+ This concept is related to term `12.64`_ of the ISO 18115-1:2023 standard.
+
+ .. _12.64: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:12.64
+
+
+ -
+
+ constant :math:`\Delta E/E` mode, where the pass energy is scanned such that the electron retardation
+ ratio is constant. In this mode, electrons of all energies are decelerated with this same
+ fixed factor. Thus, the pass energy is proportional to the kinetic energy. This mode is often
+ used in Auger electron spectroscopy (AES) to improve S/N for high-KE electrons, but this
+ leads to a changing energy resolution (:math:`\Delta E \sim E_p`) at different kinetic energies.
+ It can however also be used in XPS.
+
+ Synonyms: constant :math:`\Delta E/E` mode, constant retardation ratio mode, CRR mode, FRR mode
+
+ This concept is related to term `12.66`_ of the ISO 18115-1:2023 standard.
+
+ .. _12.66: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:12.66
+
+
+ -
+
+ In the fixed energy (FE) mode, the intensity for one single kinetic energy is measured for a
+ specified time. This mode is particulary useful during setup or alignment of the
+ electron analyzer, for analysis of stability of the excitation source or for sample
+ alignment.
+
+ Since the mode measures intensity as a function of time, the difference in channel signals
+ is not of interest. Therefore, the signals from all channels are summed.
+
+ Synonyms: FE mode
+
+
+ -
+
+ Snapshot mode does not involve an energy scan and instead collects data from all channels of
+ the detector without averaging. The resulting spectrum reflects the energy distribution of
+ particles passing through the analyzer using the current settings. This mode is commonly used
+ to position the detection energy at the peak of a peak and record the signal, enabling faster
+ data acquisition within a limited energy range compared to FAT. Snapshot measurements are
+ particularly suitable for CCD and DLD detectors, which have multiple channels and can accurately
+ display the peak shape. While five or nine-channel detectors can also be used for snapshot
+ measurements, their energy resolution is relatively lower.
+
+
+ -
+
+ In dither acquisition mode, the kinetic energy of the analyzer is randomly varied by a small value
+ around a central value and at fixed pass energy. This allows reducing or removing inhomogeneities
+ of the detector efficiency, such as e.g. imposed by a mesh in front of the detector.
+ Mostly relevant for CCD/DLD type of detectors.
+
+
@@ -77,6 +137,12 @@
Length of the tof drift electrode
+
+
+ Size, position and shape of a slit in dispersive analyzer, e.g. entrance and
+ exit slits.
+
+
Deflectors in the energy dispersive section
@@ -87,4 +153,23 @@
Individual lenses in the energy dispersive section
+
+
+
+ Specifies the position of the energy dispesive elemeent by pointing to the last
+ transformation in the transformation chain in the NXtransformations group.
+
+
+
+
+ Collection of axis-based translations and rotations to describe the location and
+ geometry of the energy dispersive element as a component in the instrument.
+ Conventions from the NXtransformations base class are used. In principle,
+ the McStas coordinate system is used. The first transformation has to point
+ either to another component of the system or . (for pointing to the reference frame)
+ to relate it relative to the experimental setup. Typically, the components of a system
+ should all be related relative to each other and only one component should relate to
+ the reference coordinate system.
+
+
diff --git a/contributed_definitions/NXmanipulator.nxdl.xml b/contributed_definitions/NXmanipulator.nxdl.xml
index ad59e06205..b76ff14250 100644
--- a/contributed_definitions/NXmanipulator.nxdl.xml
+++ b/contributed_definitions/NXmanipulator.nxdl.xml
@@ -1,10 +1,10 @@
-
+
-
+
Extension of NXpositioner to include fields to describe the use of manipulators
in photoemission experiments.
@@ -41,39 +41,182 @@
Type of manipulator, Hexapod, Rod, etc.
-
+
- Is cryocoolant flowing through the manipulator?
+ Cryostat for cooling the sample.
-
-
+
+
+ -
+
+ Calibrated kinetic energy axis.
+
+ In case the kinetic energy axis is referenced to the Fermi level :math:`E_F`
+ (e.g., in entry/process/energy_referencing), kinetic energies :math:`E` are
+ provided as :math:`E-E_F`.
+
+ This concept is related to term `3.35`_ of the ISO 18115-1:2023 standard.
+
+ .. _3.35: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:3.35
+
+
+ -
+
+ Calibrated binding energy axis.
+
+ This concept is related to term `12.16`_ of the ISO 18115-1:2023 standard.
+
+ .. _12.16: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:12.16
+
+
+
+
+
+
+
+
+ The energy can be dispersed according to different strategies. ``energy_depends`` points to
+ the path of a field defining the calibrated axis on which the energy axis depends.
+
+ For example:
+ @energy_depends: 'entry/process/energy_calibration'
+
+
diff --git a/contributed_definitions/NXpid.nxdl.xml b/contributed_definitions/NXpid.nxdl.xml
index 2be21767ed..c93ce7597e 100644
--- a/contributed_definitions/NXpid.nxdl.xml
+++ b/contributed_definitions/NXpid.nxdl.xml
@@ -1,10 +1,10 @@
-
+
-
+
Contains the settings of a PID controller.
@@ -53,6 +53,11 @@
It can also be a link to an NXsensor.value field.
+
+
+ Time log of the setpoint(s) used as an input for the PID controller.
+
+
Proportional term. The proportional term produces an output value
diff --git a/contributed_definitions/NXprocess_mpes.nxdl.xml b/contributed_definitions/NXprocess_mpes.nxdl.xml
new file mode 100644
index 0000000000..585bc972f9
--- /dev/null
+++ b/contributed_definitions/NXprocess_mpes.nxdl.xml
@@ -0,0 +1,159 @@
+
+
+
+
+
+ :ref:`NXprocess_mpes` describes events of data processing, reconstruction,
+ or analysis for MPES-related data.
+
+ It extends the NXprocess class and provides a glossary of explicitly named processes
+ and their metadata which are typical for MPES data.
+
+
+
+ Calibration event on the energy axis.
+
+ For XPS, the calibration should ideally be performed according to
+ `ISO 15472:2010`_ specification.
+
+ .. _ISO 15472:2010: https://www.iso.org/standard/74811.html
+
+
+
+ This is the calibrated energy axis to be used for data plotting.
+
+
+
+
+
+
+ This is the calibrated angular axis to be used for data plotting.
+
+
+
+
+
+
+ This is the calibrated spatial axis to be used for data plotting.
+
+
+
+
+
+
+ This is the momentum axis to be used for data plotting.
+
+
+
+
+
+ For energy referencing, the measured energies are corrected for the charging potential
+ (i.e., the electrical potential of the surface region of an insulating sample, caused by
+ irradiation) such that those energies correspond to a sample with no surface charge.
+ Usually, the energy axis is adjusted by shifting all energies uniformally until one
+ well-defined emission line peak (or the Fermi edge) is located at a known _correct_ energy.
+
+ This concept is related to term `12.74 ff.`_ of the ISO 18115-1:2023 standard.
+
+ .. _12.74 ff.: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:12.74
+
+
+
+ Electronic core or valence level that was used for the calibration.
+
+
+
+
+ Reference peak that was used for the calibration.
+
+ For example: adventitious carbon | C-C | metallic Au | elemental Si | Fermi edge | vacuum level
+
+
+
+
+ The binding energy (in units of eV) that the specified emission line appeared at,
+ after adjusting the binding energy scale.
+
+ This concept is related to term `12.16_ ff.`_ of the ISO 18115-1:2023 standard.
+
+ .. _12.16_ ff.: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:12.16
+
+
+
+
+ Offset between measured binding energy and calibrated binding energy of the
+ emission line.
+
+
+
+
+ This is the calibrated energy axis to be used for data plotting.
+
+ This should link to /entry/data/energy.
+
+
+
+
+
+ In the transmission correction, each intensity measurement for electrons of a given
+ kinetic energy is multiplied by the corresponding value in the relative_intensity
+ field of the transmission_function. This calibration procedure is used to account for
+ the different tranmsission efficiencies when using different lens modes.
+
+
+
+ Transmission function of the electron analyser.
+
+ The transmission function (TF) specifies the detection efficiency for electrons of
+ different kinetic energy passing through the electron analyser.
+ This can be a link to /entry/instrument/electronanalyser/transmission_function.
+
+
+
+ -
+#
+# Calibrated kinetic energy axis.
+#
+# This concept is related to term `3.35`_ of the ISO 18115-1:2023 standard.
+#
+# .. _3.35: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:3.35
+#
+#
+# -
+#
+# Calibrated binding energy axis.
+#
+# This concept is related to term `12.16`_ of the ISO 18115-1:2023 standard.
+#
+# .. _12.16: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:12.16
+#
+#
+#
+#
+#
+#
+#
+#
+#
+# Calibrated x axis in k-space.
+# Units are 1/Angström.
+#
+#
+#
+#
+#
+#
+# Calibrated y axis in k-space.
+# Units are 1/Angström
+#
+#
+#
+#
+#
+#
+# Calibrated z axis in k-space.
+# Units are 1/Angström.
+#
+#
+#
+#
+#
+#
+# Fast-axis angular coordinate (or second slow axis if angularly integrated).
+#
+#
+#
+#
+#
+#
+# Slow-axis angular coordinate (or second fast axis if simultaneously dispersed in
+# 2 dimensions)
+#
+#
+#
+#
+#
+#
+# Fast-axis spatial coordinate (or second slow axis if spatially integrated)
+#
+#
+#
+#
+#
+#
+# Slow-axis spatial coordinate (or second fast axis if simultaneously dispersed in
+# 2 dimensions)
+#
+#
+#
+#
+#
+#
+# Calibrated delay time.
+#
+#
+#
+#
+#
+#
+# Linear polarization angle of the incoming or outgoing beam.
+#
+# Could be a link to /entry/instrument/beam/incident_polarization_angle or
+# /entry/instrument/beam/final_polarization_angle if they exist.
+#
+#
+#
+#
+#
+#
+# Ellipticity of the incoming or outgoing beam.
+#
+# Can be any of linear polarization angle (degrees), ellipticity (arb. units).
+# Could be a link to /entry/instrument/beam/incident_ellipticity or
+# /entry/instrument/beam/final_ellipticity if they exist.
+#
+#
+#
+#
+#
diff --git a/contributed_definitions/nyaml/NXdata_mpes_detector.yaml b/contributed_definitions/nyaml/NXdata_mpes_detector.yaml
new file mode 100644
index 0000000000..ccf82e6045
--- /dev/null
+++ b/contributed_definitions/nyaml/NXdata_mpes_detector.yaml
@@ -0,0 +1,336 @@
+category: base
+doc: |
+ :ref:`NXdata_mpes_detector` describes the plottable data and related dimension scales
+ for raw detector data in MPES experiments.
+
+ It extends the NXdata class and provides a glossary of explicitly named axis names
+ which are typical for raw MPES data.
+type: group
+NXdata_mpes_detector(NXdata):
+ \@signal:
+ enumeration: [raw]
+ raw(NX_NUMBER):
+ doc: |
+ Raw data before calibration.
+ pixel_x(NX_FLOAT):
+ unit: NX_ANY
+ doc: |
+ Detector pixel in x direction.
+ \@pixel_x_indices:
+ \@pixel_x_depends:
+ pixel_y(NX_FLOAT):
+ unit: NX_ANY
+ doc: |
+ Detector pixel in y direction.
+ \@pixel_y_indices:
+ \@pixel_y_depends:
+ energy(NX_NUMBER):
+ unit: NX_ENERGY
+ doc: |
+ (Un)calibrated energy axis.
+ \@type:
+ type: NX_CHAR
+ doc: |
+ The energy can be either stored as kinetic or as binding energy.
+ enumeration:
+ kinetic:
+ doc:
+ - |
+ (Un)calibrated kinetic energy axis.
+ - |
+ xref:
+ spec: ISO 18115-1:2023
+ term: 3.35
+ url: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:3.35
+ binding:
+ doc:
+ - |
+ (Un)calibrated binding energy axis.
+ - |
+ xref:
+ spec: ISO 18115-1:2023
+ term: 12.16
+ url: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:12.16
+ \@energy_indices:
+ \@energy_depends:
+ kx(NX_NUMBER):
+ unit: NX_WAVENUMBER
+ doc: |
+ (Un)calibrated x axis in k-space.
+ Units are 1/Angström.
+ \@kx_indices:
+ \@kx_depends:
+ ky(NX_NUMBER):
+ unit: NX_WAVENUMBER
+ doc: |
+ (Un)calibrated y axis in k-space.
+ Units are 1/Angström
+ \@ky_indices:
+ \@ky_depends:
+ kz(NX_NUMBER):
+ unit: NX_WAVENUMBER
+ doc: |
+ (Un)calibrated z axis in k-space.
+ Units are 1/Angström.
+ \@kz_indices:
+ \@kz_depends:
+ angular0(NX_NUMBER):
+ unit: NX_ANGLE
+ doc: |
+ Fast-axis angular coordinate (or second slow axis if angularly integrated).
+ \@angular0_indices:
+ \@angular0_depends:
+ angular1(NX_NUMBER):
+ unit: NX_ANGLE
+ doc: |
+ Slow-axis angular coordinate (or second fast axis if simultaneously dispersed in two
+ dimensions)
+ \@angular1_indices:
+ \@angular1_depends:
+ spatial0(NX_NUMBER):
+ unit: NX_LENGTH
+ doc: |
+ Fast-axis spatial coordinate (or second slow axis if spatially integrated)
+ \@spatial0_indices:
+ \@spatial0_depends:
+ spatial1(NX_NUMBER):
+ unit: NX_LENGTH
+ doc: |
+ Slow-axis spatial coordinate (or second fast axis if simultaneously dispersed in two
+ dimensions)
+ \@spatial1_indices:
+ \@spatial1_depends:
+
+ # exists in NXdetector base class
+ time_of_flight(NX_FLOAT):
+ unit: NX_TIME_OF_FLIGHT
+ doc: |
+ Total time of flight
+ \@time_of_flight_indices:
+ \@time_of_flight_depends:
+ time_of_flight_adc(NX_FLOAT):
+ unit: NX_ANY
+ doc: |
+ Time-of-flight values, analog-to-digital converted.
+ \@time_of_flight_adc_indices:
+ \@time_of_flight_adc_depends:
+ delay(NX_NUMBER):
+ unit: NX_TIME
+ doc: |
+ (Un)calibrated delay time.
+ \@delay_indices:
+ \@delay_depends:
+ polarization_angle(NX_FLOAT):
+ unit: NX_ANGLE
+ doc: |
+ Linear polarization angle of the incoming or outgoing beam.
+ \@polarization_angle_indices:
+ \@polarization_angle_depends:
+ ellipticity(NX_FLOAT):
+ unit: NX_ANGLE
+ doc: |
+ Ellipticity of the incoming or outgoing beam.
+ \@ellipticity_indices:
+ \@ellipticity_depends:
+ external_AXIS(NX_NUMBER):
+ unit: NX_ANY
+ doc: |
+ Describes an axis which is coming from outside the detectors scope.
+
+ Think of a detector just being triggered for readout by the rest of the experimental
+ setup - it would just know that it collected N images, which would flatten the external
+ parameters to one axis, too.
+ This can then be linked, e.g. with NXcalibration, to the appropriate fields in the instrument
+ and write it to the top-level NXdata.
+
+# ++++++++++++++++++++++++++++++++++ SHA HASH ++++++++++++++++++++++++++++++++++
+# 9428309dfa7497a26a3ea053ed9dae2d45a66d718656630be27e13e20611012d
+#
+#
+#
+#
+#
+# :ref:`NXdata_mpes_detector` describes the plottable data and related dimension scales
+# for raw detector data in MPES experiments.
+#
+# It extends the NXdata class and provides a glossary of explicitly named axis names
+# which are typical for raw MPES data.
+#
+#
+#
+# -
+#
+# (Un)calibrated kinetic energy axis.
+#
+# This concept is related to term `3.35`_ of the ISO 18115-1:2023 standard.
+#
+# .. _3.35: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:3.35
+#
+#
+# -
+#
+# (Un)calibrated binding energy axis.
+#
+# This concept is related to term `12.16`_ of the ISO 18115-1:2023 standard.
+#
+# .. _12.16: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:12.16
+#
+#
+#
+#
+#
+#
+#
+#
+#
+# (Un)calibrated x axis in k-space.
+# Units are 1/Angström.
+#
+#
+#
+#
+#
+#
+# (Un)calibrated y axis in k-space.
+# Units are 1/Angström
+#
+#
+#
+#
+#
+#
+# (Un)calibrated z axis in k-space.
+# Units are 1/Angström.
+#
+#
+#
+#
+#
+#
+# Fast-axis angular coordinate (or second slow axis if angularly integrated).
+#
+#
+#
+#
+#
+#
+# Slow-axis angular coordinate (or second fast axis if simultaneously dispersed in two
+# dimensions)
+#
+#
+#
+#
+#
+#
+# Fast-axis spatial coordinate (or second slow axis if spatially integrated)
+#
+#
+#
+#
+#
+#
+# Slow-axis spatial coordinate (or second fast axis if simultaneously dispersed in two
+# dimensions)
+#
+#
+#
+#
+#
+#
+#
+# Total time of flight
+#
+#
+#
+#
+#
+#
+# Time-of-flight values, analog-to-digital converted.
+#
+#
+#
+#
+#
+#
+# (Un)calibrated delay time.
+#
+#
+#
+#
+#
+#
+# Linear polarization angle of the incoming or outgoing beam.
+#
+#
+#
+#
+#
+#
+# Ellipticity of the incoming or outgoing beam.
+#
+#
+#
+#
+#
+#
+# Describes an axis which is coming from outside the detectors scope.
+#
+# Think of a detector just being triggered for readout by the rest of the experimental
+# setup - it would just know that it collected N images, which would flatten the external
+# parameters to one axis, too.
+# This can then be linked, e.g. with NXcalibration, to the appropriate fields in the instrument
+# and write it to the top-level NXdata.
+#
+#
+#
diff --git a/contributed_definitions/nyaml/NXelectron_level.yaml b/contributed_definitions/nyaml/NXelectron_level.yaml
new file mode 100644
index 0000000000..ed9149e2fd
--- /dev/null
+++ b/contributed_definitions/nyaml/NXelectron_level.yaml
@@ -0,0 +1,1465 @@
+category: base
+doc: |
+ Electronic level probed in X-ray spectroscopy or resonance experiments.
+type: group
+NXelectron_level(NXobject):
+ element:
+ doc: |
+ Symbol of the chemical element.
+
+ For each, the atomic number, common English name, and standard atomic weight are also given.
+ enumeration:
+ H:
+ doc: |
+ Z=1, name="hydrogen", standard_atomic_weight=1.0078
+ He:
+ doc: |
+ Z=2, name="helium", standard_atomic_weight=4.0026
+ Li:
+ doc: |
+ Z=3, name="lithium", standard_atomic_weight=6.94
+ Be:
+ doc: |
+ Z=4, name="beryllium", standard_atomic_weight=9.0122
+ B:
+ doc: |
+ Z=5, name="boron", standard_atomic_weight=10.81
+ C:
+ doc: |
+ Z=6, name="carbon", standard_atomic_weight=12.011
+ N:
+ doc: |
+ Z=7, name="nitrogen", standard_atomic_weight=14.007
+ O:
+ doc: |
+ Z=8, name="oxygen", standard_atomic_weight=15.999
+ F:
+ doc: |
+ Z=9, name="fluorine", standard_atomic_weight=18.9984
+ Ne:
+ doc: |
+ Z=10, name="neon", standard_atomic_weight=20.1797
+ Na:
+ doc: |
+ Z=11, name="sodium", standard_atomic_weight=22.9898
+ Mg:
+ doc: |
+ Z=12, name="magnesium", standard_atomic_weight=24.305
+ Al:
+ doc: |
+ Z=13, name="aluminum", standard_atomic_weight=26.9815
+ Si:
+ doc: |
+ Z=14, name="silicon", standard_atomic_weight=28.085
+ P:
+ doc: |
+ Z=15, name="phosphorus", standard_atomic_weight=30.9738
+ S:
+ doc: |
+ Z=16, name="sulfur", standard_atomic_weight=32.06
+ Cl:
+ doc: |
+ Z=17, name="chlorine", standard_atomic_weight=35.453
+ Ar:
+ doc: |
+ Z=18, name="argon", standard_atomic_weight=39.948
+ K:
+ doc: |
+ Z=19, name="potassium", standard_atomic_weight=39.0983
+ Ca:
+ doc: |
+ Z=20, name="calcium", standard_atomic_weight=40.078
+ Sc:
+ doc: |
+ Z=21, name="scandium", standard_atomic_weight=44.9559
+ Ti:
+ doc: |
+ Z=22, name="titanium", standard_atomic_weight=47.867
+ V:
+ doc: |
+ Z=23, name="vanadium", standard_atomic_weight=50.9415
+ Cr:
+ doc: |
+ Z=24, name="chromium", standard_atomic_weight=51.996
+ Mn:
+ doc: |
+ Z=25, name="manganese", standard_atomic_weight=54.938
+ Fe:
+ doc: |
+ Z=26, name="iron", standard_atomic_weight=55.845
+ Co:
+ doc: |
+ Z=27, name="cobalt", standard_atomic_weight=58.9332
+ Ni:
+ doc: |
+ Z=28, name="nickel", standard_atomic_weight=58.6934
+ Cu:
+ doc: |
+ Z=29, name="copper", standard_atomic_weight=63.546
+ Zn:
+ doc: |
+ Z=30, name="zinc", standard_atomic_weight=65.38
+ Ga:
+ doc: |
+ Z=31, name="gallium", standard_atomic_weight=69.72
+ Ge:
+ doc: |
+ Z=32, name="germanium", standard_atomic_weight=72.63
+ As:
+ doc: |
+ Z=33, name="arsenic", standard_atomic_weight=74.9216
+ Se:
+ doc: |
+ Z=34, name="selenium", standard_atomic_weight=78.971
+ Br:
+ doc: |
+ Z=35, name="bromine", standard_atomic_weight=79.904
+ Kr:
+ doc: |
+ Z=36, name="krypton", standard_atomic_weight=83.798
+ Rb:
+ doc: |
+ Z=37, name="rubidium", standard_atomic_weight=85.4678
+ Sr:
+ doc: |
+ Z=38, name="strontium", standard_atomic_weight=87.62
+ Y:
+ doc: |
+ Z=39, name="yttrium", standard_atomic_weight=88.9058
+ Zr:
+ doc: |
+ Z=40, name="zirconium", standard_atomic_weight=91.224
+ Nb:
+ doc: |
+ Z=41, name="niobium", standard_atomic_weight=92.9064
+ Mo:
+ doc: |
+ Z=42, name="molybdenum", standard_atomic_weight=95.95
+ Tc:
+ doc: |
+ Z=43, name="technetium", standard_atomic_weight=97.907
+ Ru:
+ doc: |
+ Z=44, name="ruthenium", standard_atomic_weight=101.07
+ Rh:
+ doc: |
+ Z=45, name="rhodium", standard_atomic_weight=102.906
+ Pd:
+ doc: |
+ Z=46, name="palladium", standard_atomic_weight=106.42
+ Ag:
+ doc: |
+ Z=47, name="silver", standard_atomic_weight=107.868
+ Cd:
+ doc: |
+ Z=48, name="cadmium", standard_atomic_weight=112.414
+ In:
+ doc: |
+ Z=49, name="indium", standard_atomic_weight=114.818
+ Sn:
+ doc: |
+ Z=50, name="tin", standard_atomic_weight=118.71
+ Sb:
+ doc: |
+ Z=51, name="antimony", standard_atomic_weight=121.76
+ Te:
+ doc: |
+ Z=52, name="tellurium", standard_atomic_weight=127.6
+ I:
+ doc: |
+ Z=53, name="iodine", standard_atomic_weight=126.905
+ Xe:
+ doc: |
+ Z=54, name="xenon", standard_atomic_weight=131.293
+ Cs:
+ doc: |
+ Z=55, name="cesium", standard_atomic_weight=132.905
+ Ba:
+ doc: |
+ Z=56, name="barium", standard_atomic_weight=137.327
+ La:
+ doc: |
+ Z=57, name="lanthanum", standard_atomic_weight=138.905
+ Ce:
+ doc: |
+ Z=58, name="cerium", standard_atomic_weight=140.116
+ Pr:
+ doc: |
+ Z=59, name="praseodymium", standard_atomic_weight=140.908
+ Nd:
+ doc: |
+ Z=60, name="neodymium", standard_atomic_weight=144.242
+ Pm:
+ doc: |
+ Z=61, name="promethium", standard_atomic_weight=145.0
+ Sm:
+ doc: |
+ Z=62, name="samarium", standard_atomic_weight=150.36
+ Eu:
+ doc: |
+ Z=63, name="europium", standard_atomic_weight=151.96
+ Gd:
+ doc: |
+ Z=64, name="gadolinium", standard_atomic_weight=157.25
+ Tb:
+ doc: |
+ Z=65, name="terbium", standard_atomic_weight=158.925
+ Dy:
+ doc: |
+ Z=66, name="dysprosium", standard_atomic_weight=162.5
+ Ho:
+ doc: |
+ Z=67, name="holmium", standard_atomic_weight=164.93
+ Er:
+ doc: |
+ Z=68, name="erbium", standard_atomic_weight=167.259
+ Tm:
+ doc: |
+ Z=69, name="thulium", standard_atomic_weight=168.934
+ Yb:
+ doc: |
+ Z=70, name="ytterbium", standard_atomic_weight=173.045
+ Lu:
+ doc: |
+ Z=71, name="lutetium", standard_atomic_weight=174.967
+ Hf:
+ doc: |
+ Z=72, name="hafnium", standard_atomic_weight=178.49
+ Ta:
+ doc: |
+ Z=73, name="tantalum", standard_atomic_weight=180.948
+ W:
+ doc: |
+ Z=74, name="tungsten", standard_atomic_weight=183.84
+ Re:
+ doc: |
+ Z=75, name="rhenium", standard_atomic_weight=186.207
+ Os:
+ doc: |
+ Z=76, name="osmium", standard_atomic_weight=190.23
+ Ir:
+ doc: |
+ Z=77, name="iridium", standard_atomic_weight=192.217
+ Pt:
+ doc: |
+ Z=78, name="platinum", standard_atomic_weight=195.084
+ Au:
+ doc: |
+ Z=79, name="gold", standard_atomic_weight=196.967
+ Hg:
+ doc: |
+ Z=80, name="mercury", standard_atomic_weight=200.592
+ Tl:
+ doc: |
+ Z=81, name="thallium", standard_atomic_weight=204.383
+ Pb:
+ doc: |
+ Z=82, name="lead", standard_atomic_weight=207.2
+ Bi:
+ doc: |
+ Z=83, name="bismuth", standard_atomic_weight=208.98
+ Po:
+ doc: |
+ Z=84, name="polonium", standard_atomic_weight=209.0
+ At:
+ doc: |
+ Z=85, name="astatine", standard_atomic_weight=210.0
+ Rn:
+ doc: |
+ Z=86, name="radon", standard_atomic_weight=222.0
+ Fr:
+ doc: |
+ Z=87, name="francium", standard_atomic_weight=223.0
+ Ra:
+ doc: |
+ Z=88, name="radium", standard_atomic_weight=226.0
+ Ac:
+ doc: |
+ Z=89, name="actinium", standard_atomic_weight=227.0
+ Th:
+ doc: |
+ Z=90, name="thorium", standard_atomic_weight=232.038
+ Pa:
+ doc: |
+ Z=91, name="protactinium", standard_atomic_weight=231.036
+ U:
+ doc: |
+ Z=92, name="uranium", standard_atomic_weight=238.029
+ Np:
+ doc: |
+ Z=93, name="neptunium", standard_atomic_weight=237.048
+ Pu:
+ doc: |
+ Z=94, name="plutonium", standard_atomic_weight=239.052
+ Am:
+ doc: |
+ Z=95, name="americium", standard_atomic_weight=243.0
+ Cm:
+ doc: |
+ Z=96, name="curium", standard_atomic_weight=247.0
+ Bk:
+ doc: |
+ Z=97, name="berkelium", standard_atomic_weight=247.0
+ Cf:
+ doc: |
+ Z=98, name="californium", standard_atomic_weight=251.0
+ Es:
+ doc: |
+ Z=99, name="einsteinium", standard_atomic_weight=252
+ Fm:
+ doc: |
+ Z=100, name="fermium", standard_atomic_weight=257
+ Md:
+ doc: |
+ Z=101, name="mendelevium", standard_atomic_weight=258
+ "No":
+ doc: |
+ Z=102, name="nobelium", standard_atomic_weight=259
+ Lr:
+ doc: |
+ Z=103, name="lawrencium", standard_atomic_weight=266
+ Rf:
+ doc: |
+ Z=104, name="rutherfordium", standard_atomic_weight=267
+ Db:
+ doc: |
+ Z=105, name="dubnium", standard_atomic_weight=268
+ Sg:
+ doc: |
+ Z=106, name="seaborgium", standard_atomic_weight=269
+ Bh:
+ doc: |
+ Z=107, name="bohrium", standard_atomic_weight=270
+ Hs:
+ doc: |
+ Z=108, name="hassium", standard_atomic_weight=269
+ Mt:
+ doc: |
+ Z=109, name="meitnerium", standard_atomic_weight=278
+ Ds:
+ doc: |
+ Z=110, name="darmstadtium", standard_atomic_weight=281
+ Rg:
+ doc: |
+ Z=111, name="roentgenium", standard_atomic_weight=282
+ Cn:
+ doc: |
+ Z=112, name="copernicium", standard_atomic_weight=285
+ Nh:
+ doc: |
+ Z=113, name="nihonium", standard_atomic_weight=286
+ Fl:
+ doc: |
+ Z=114, name="flerovium", standard_atomic_weight=289
+ Mc:
+ doc: |
+ Z=115, name="moscovium", standard_atomic_weight=290
+ Lv:
+ doc: |
+ Z=116, name="livermorium", standard_atomic_weight=293
+ Ts:
+ doc: |
+ Z=117, name="tennessine", standard_atomic_weight=294
+ Og:
+ doc: |
+ Z=118, name="oganesson", standard_atomic_weight=294
+ level_iupac:
+ doc: |
+ IUPAC symbol of the electronic level.
+ For each level, the electronic orbital configuration is also given
+
+ For reference, see Jenkins, R., Manne, R., Robin, R., & Senemaud, C. (1991).
+ IUPAC—nomenclature system for x-ray spectroscopy. X-Ray Spectrometry, 20(3), 149-155.
+ enumeration:
+ K:
+ doc: |
+ same as 1s in level_xray
+ L1:
+ doc: |
+ 2s
+ L2:
+ doc: |
+ 2p_{1/2}
+ L3:
+ doc: |
+ 2p_{3/2}
+ M1:
+ doc: |
+ 3s
+ M2:
+ doc: |
+ 3p_{1/2}
+ M3:
+ doc: |
+ 3p_{3/2}
+ M4:
+ doc: |
+ 3d_{3/2}
+ M5:
+ doc: |
+ 3d_{5/2}
+ N1:
+ doc: |
+ 4s
+ N2:
+ doc: |
+ 4p_{1/2}
+ N3:
+ doc: |
+ 4p_{3/2}
+ N4:
+ doc: |
+ 4d_{3/2}
+ N5:
+ doc: |
+ 4d_{5/2}
+ N6:
+ doc: |
+ 4f_{5/2}
+ N7:
+ doc: |
+ 4f_{7/2}
+ O1:
+ doc: |
+ 5s
+ O2:
+ doc: |
+ 5p_{1/2}
+ O3:
+ doc: |
+ 5p_{3/2}
+ O4:
+ doc: |
+ 5d_{3/2}
+ O5:
+ doc: |
+ 5d_{5/2}
+ O6:
+ doc: |
+ 5f_{5/2}
+ O7:
+ doc: |
+ 5f_{7/2}
+ P1:
+ doc: |
+ 6s
+ P2:
+ doc: |
+ 6p_{1/2}
+ P3:
+ doc: |
+ 6p_{3/2}
+ level_electron_config:
+ doc: |
+ Electronic orbital configuration of the electronic level.
+ enumeration:
+ 1s:
+ doc: |
+ same as K in level_xray
+ 2s:
+ doc: |
+ L1
+ 2p1/2:
+ doc: |
+ L3
+ 3s:
+ doc: |
+ M1
+ 3p1/2:
+ doc: |
+ M2
+ 3p3/2:
+ doc: |
+ M3
+ 3d3/2:
+ doc: |
+ M4
+ 3d5/2:
+ doc: |
+ M5
+ 4s:
+ doc: |
+ N1
+ 4p1/2:
+ doc: |
+ N2
+ 4p3/2:
+ doc: |
+ N3
+ 4d3/2:
+ doc: |
+ N4
+ 4d5/2:
+ doc: |
+ N5
+ 4f5/2:
+ doc: |
+ N6
+ 4f7/2:
+ doc: |
+ N7
+ 5s:
+ doc: |
+ O1
+ 5p1/2:
+ doc: |
+ O2
+ 5p3/2:
+ doc: |
+ O3
+ 5d3/2:
+ doc: |
+ O4
+ 5d5/2:
+ doc: |
+ O5
+ 5f5/2:
+ doc: |
+ O6
+ 5f7/2:
+ doc: |
+ O7
+ 6s:
+ doc: |
+ P1
+ 6p1/2:
+ doc: |
+ P2
+ 6p3/2:
+ doc: |
+ P3
+ \@description:
+ doc: |
+ description of X-ray electronic level
+ \@default:
+ doc: |
+ .. index:: plotting
+
+ Declares which child group contains a path leading
+ to a :ref:`NXdata` group.
+
+ It is recommended (as of NIAC2014) to use this attribute
+ to help define the path to the default dataset to be plotted.
+ See https://www.nexusformat.org/2014_How_to_find_default_data.html
+ for a summary of the discussion.
+
+# ++++++++++++++++++++++++++++++++++ SHA HASH ++++++++++++++++++++++++++++++++++
+# f15a465a52ff8afca9ae40f5a19eaaa00cf0defe098ab7a0b76a3692acd4bc29
+#
+#
+#
+#
+#
+# Electronic level probed in X-ray spectroscopy or resonance experiments.
+#
+#
+#
+# Symbol of the chemical element.
+#
+# For each, the atomic number, common English name, and standard atomic weight are also given.
+#
+#
+# -
+#
+# Z=1, name="hydrogen", standard_atomic_weight=1.0078
+#
+#
+# -
+#
+# Z=2, name="helium", standard_atomic_weight=4.0026
+#
+#
+# -
+#
+# Z=3, name="lithium", standard_atomic_weight=6.94
+#
+#
+# -
+#
+# Z=4, name="beryllium", standard_atomic_weight=9.0122
+#
+#
+# -
+#
+# Z=5, name="boron", standard_atomic_weight=10.81
+#
+#
+# -
+#
+# Z=6, name="carbon", standard_atomic_weight=12.011
+#
+#
+# -
+#
+# Z=7, name="nitrogen", standard_atomic_weight=14.007
+#
+#
+# -
+#
+# Z=8, name="oxygen", standard_atomic_weight=15.999
+#
+#
+# -
+#
+# Z=9, name="fluorine", standard_atomic_weight=18.9984
+#
+#
+# -
+#
+# Z=10, name="neon", standard_atomic_weight=20.1797
+#
+#
+# -
+#
+# Z=11, name="sodium", standard_atomic_weight=22.9898
+#
+#
+# -
+#
+# Z=12, name="magnesium", standard_atomic_weight=24.305
+#
+#
+# -
+#
+# Z=13, name="aluminum", standard_atomic_weight=26.9815
+#
+#
+# -
+#
+# Z=14, name="silicon", standard_atomic_weight=28.085
+#
+#
+# -
+#
+# Z=15, name="phosphorus", standard_atomic_weight=30.9738
+#
+#
+# -
+#
+# Z=16, name="sulfur", standard_atomic_weight=32.06
+#
+#
+# -
+#
+# Z=17, name="chlorine", standard_atomic_weight=35.453
+#
+#
+# -
+#
+# Z=18, name="argon", standard_atomic_weight=39.948
+#
+#
+# -
+#
+# Z=19, name="potassium", standard_atomic_weight=39.0983
+#
+#
+# -
+#
+# Z=20, name="calcium", standard_atomic_weight=40.078
+#
+#
+# -
+#
+# Z=21, name="scandium", standard_atomic_weight=44.9559
+#
+#
+# -
+#
+# Z=22, name="titanium", standard_atomic_weight=47.867
+#
+#
+# -
+#
+# Z=23, name="vanadium", standard_atomic_weight=50.9415
+#
+#
+# -
+#
+# Z=24, name="chromium", standard_atomic_weight=51.996
+#
+#
+# -
+#
+# Z=25, name="manganese", standard_atomic_weight=54.938
+#
+#
+# -
+#
+# Z=26, name="iron", standard_atomic_weight=55.845
+#
+#
+# -
+#
+# Z=27, name="cobalt", standard_atomic_weight=58.9332
+#
+#
+# -
+#
+# Z=28, name="nickel", standard_atomic_weight=58.6934
+#
+#
+# -
+#
+# Z=29, name="copper", standard_atomic_weight=63.546
+#
+#
+# -
+#
+# Z=30, name="zinc", standard_atomic_weight=65.38
+#
+#
+# -
+#
+# Z=31, name="gallium", standard_atomic_weight=69.72
+#
+#
+# -
+#
+# Z=32, name="germanium", standard_atomic_weight=72.63
+#
+#
+# -
+#
+# Z=33, name="arsenic", standard_atomic_weight=74.9216
+#
+#
+# -
+#
+# Z=34, name="selenium", standard_atomic_weight=78.971
+#
+#
+# -
+#
+# Z=35, name="bromine", standard_atomic_weight=79.904
+#
+#
+# -
+#
+# Z=36, name="krypton", standard_atomic_weight=83.798
+#
+#
+# -
+#
+# Z=37, name="rubidium", standard_atomic_weight=85.4678
+#
+#
+# -
+#
+# Z=38, name="strontium", standard_atomic_weight=87.62
+#
+#
+# -
+#
+# Z=39, name="yttrium", standard_atomic_weight=88.9058
+#
+#
+# -
+#
+# Z=40, name="zirconium", standard_atomic_weight=91.224
+#
+#
+# -
+#
+# Z=41, name="niobium", standard_atomic_weight=92.9064
+#
+#
+# -
+#
+# Z=42, name="molybdenum", standard_atomic_weight=95.95
+#
+#
+# -
+#
+# Z=43, name="technetium", standard_atomic_weight=97.907
+#
+#
+# -
+#
+# Z=44, name="ruthenium", standard_atomic_weight=101.07
+#
+#
+# -
+#
+# Z=45, name="rhodium", standard_atomic_weight=102.906
+#
+#
+# -
+#
+# Z=46, name="palladium", standard_atomic_weight=106.42
+#
+#
+# -
+#
+# Z=47, name="silver", standard_atomic_weight=107.868
+#
+#
+# -
+#
+# Z=48, name="cadmium", standard_atomic_weight=112.414
+#
+#
+# -
+#
+# Z=49, name="indium", standard_atomic_weight=114.818
+#
+#
+# -
+#
+# Z=50, name="tin", standard_atomic_weight=118.71
+#
+#
+# -
+#
+# Z=51, name="antimony", standard_atomic_weight=121.76
+#
+#
+# -
+#
+# Z=52, name="tellurium", standard_atomic_weight=127.6
+#
+#
+# -
+#
+# Z=53, name="iodine", standard_atomic_weight=126.905
+#
+#
+# -
+#
+# Z=54, name="xenon", standard_atomic_weight=131.293
+#
+#
+# -
+#
+# Z=55, name="cesium", standard_atomic_weight=132.905
+#
+#
+# -
+#
+# Z=56, name="barium", standard_atomic_weight=137.327
+#
+#
+# -
+#
+# Z=57, name="lanthanum", standard_atomic_weight=138.905
+#
+#
+# -
+#
+# Z=58, name="cerium", standard_atomic_weight=140.116
+#
+#
+# -
+#
+# Z=59, name="praseodymium", standard_atomic_weight=140.908
+#
+#
+# -
+#
+# Z=60, name="neodymium", standard_atomic_weight=144.242
+#
+#
+# -
+#
+# Z=61, name="promethium", standard_atomic_weight=145.0
+#
+#
+# -
+#
+# Z=62, name="samarium", standard_atomic_weight=150.36
+#
+#
+# -
+#
+# Z=63, name="europium", standard_atomic_weight=151.96
+#
+#
+# -
+#
+# Z=64, name="gadolinium", standard_atomic_weight=157.25
+#
+#
+# -
+#
+# Z=65, name="terbium", standard_atomic_weight=158.925
+#
+#
+# -
+#
+# Z=66, name="dysprosium", standard_atomic_weight=162.5
+#
+#
+# -
+#
+# Z=67, name="holmium", standard_atomic_weight=164.93
+#
+#
+# -
+#
+# Z=68, name="erbium", standard_atomic_weight=167.259
+#
+#
+# -
+#
+# Z=69, name="thulium", standard_atomic_weight=168.934
+#
+#
+# -
+#
+# Z=70, name="ytterbium", standard_atomic_weight=173.045
+#
+#
+# -
+#
+# Z=71, name="lutetium", standard_atomic_weight=174.967
+#
+#
+# -
+#
+# Z=72, name="hafnium", standard_atomic_weight=178.49
+#
+#
+# -
+#
+# Z=73, name="tantalum", standard_atomic_weight=180.948
+#
+#
+# -
+#
+# Z=74, name="tungsten", standard_atomic_weight=183.84
+#
+#
+# -
+#
+# Z=75, name="rhenium", standard_atomic_weight=186.207
+#
+#
+# -
+#
+# Z=76, name="osmium", standard_atomic_weight=190.23
+#
+#
+# -
+#
+# Z=77, name="iridium", standard_atomic_weight=192.217
+#
+#
+# -
+#
+# Z=78, name="platinum", standard_atomic_weight=195.084
+#
+#
+# -
+#
+# Z=79, name="gold", standard_atomic_weight=196.967
+#
+#
+# -
+#
+# Z=80, name="mercury", standard_atomic_weight=200.592
+#
+#
+# -
+#
+# Z=81, name="thallium", standard_atomic_weight=204.383
+#
+#
+# -
+#
+# Z=82, name="lead", standard_atomic_weight=207.2
+#
+#
+# -
+#
+# Z=83, name="bismuth", standard_atomic_weight=208.98
+#
+#
+# -
+#
+# Z=84, name="polonium", standard_atomic_weight=209.0
+#
+#
+# -
+#
+# Z=85, name="astatine", standard_atomic_weight=210.0
+#
+#
+# -
+#
+# Z=86, name="radon", standard_atomic_weight=222.0
+#
+#
+# -
+#
+# Z=87, name="francium", standard_atomic_weight=223.0
+#
+#
+# -
+#
+# Z=88, name="radium", standard_atomic_weight=226.0
+#
+#
+# -
+#
+# Z=89, name="actinium", standard_atomic_weight=227.0
+#
+#
+# -
+#
+# Z=90, name="thorium", standard_atomic_weight=232.038
+#
+#
+# -
+#
+# Z=91, name="protactinium", standard_atomic_weight=231.036
+#
+#
+# -
+#
+# Z=92, name="uranium", standard_atomic_weight=238.029
+#
+#
+# -
+#
+# Z=93, name="neptunium", standard_atomic_weight=237.048
+#
+#
+# -
+#
+# Z=94, name="plutonium", standard_atomic_weight=239.052
+#
+#
+# -
+#
+# Z=95, name="americium", standard_atomic_weight=243.0
+#
+#
+# -
+#
+# Z=96, name="curium", standard_atomic_weight=247.0
+#
+#
+# -
+#
+# Z=97, name="berkelium", standard_atomic_weight=247.0
+#
+#
+# -
+#
+# Z=98, name="californium", standard_atomic_weight=251.0
+#
+#
+# -
+#
+# Z=99, name="einsteinium", standard_atomic_weight=252
+#
+#
+# -
+#
+# Z=100, name="fermium", standard_atomic_weight=257
+#
+#
+# -
+#
+# Z=101, name="mendelevium", standard_atomic_weight=258
+#
+#
+# -
+#
+# Z=102, name="nobelium", standard_atomic_weight=259
+#
+#
+# -
+#
+# Z=103, name="lawrencium", standard_atomic_weight=266
+#
+#
+# -
+#
+# Z=104, name="rutherfordium", standard_atomic_weight=267
+#
+#
+# -
+#
+# Z=105, name="dubnium", standard_atomic_weight=268
+#
+#
+# -
+#
+# Z=106, name="seaborgium", standard_atomic_weight=269
+#
+#
+# -
+#
+# Z=107, name="bohrium", standard_atomic_weight=270
+#
+#
+# -
+#
+# Z=108, name="hassium", standard_atomic_weight=269
+#
+#
+# -
+#
+# Z=109, name="meitnerium", standard_atomic_weight=278
+#
+#
+# -
+#
+# Z=110, name="darmstadtium", standard_atomic_weight=281
+#
+#
+# -
+#
+# Z=111, name="roentgenium", standard_atomic_weight=282
+#
+#
+# -
+#
+# Z=112, name="copernicium", standard_atomic_weight=285
+#
+#
+# -
+#
+# Z=113, name="nihonium", standard_atomic_weight=286
+#
+#
+# -
+#
+# Z=114, name="flerovium", standard_atomic_weight=289
+#
+#
+# -
+#
+# Z=115, name="moscovium", standard_atomic_weight=290
+#
+#
+# -
+#
+# Z=116, name="livermorium", standard_atomic_weight=293
+#
+#
+# -
+#
+# Z=117, name="tennessine", standard_atomic_weight=294
+#
+#
+# -
+#
+# Z=118, name="oganesson", standard_atomic_weight=294
+#
+#
+#
+#
+#
+#
+# IUPAC symbol of the electronic level.
+# For each level, the electronic orbital configuration is also given
+#
+# For reference, see Jenkins, R., Manne, R., Robin, R., & Senemaud, C. (1991).
+# IUPAC—nomenclature system for x-ray spectroscopy. X-Ray Spectrometry, 20(3), 149-155.
+#
+#
+# -
+#
+# same as 1s in level_xray
+#
+#
+# -
+#
+# 2s
+#
+#
+# -
+#
+# 2p_{1/2}
+#
+#
+# -
+#
+# 2p_{3/2}
+#
+#
+# -
+#
+# 3s
+#
+#
+# -
+#
+# 3p_{1/2}
+#
+#
+# -
+#
+# 3p_{3/2}
+#
+#
+# -
+#
+# 3d_{3/2}
+#
+#
+# -
+#
+# 3d_{5/2}
+#
+#
+# -
+#
+# 4s
+#
+#
+# -
+#
+# 4p_{1/2}
+#
+#
+# -
+#
+# 4p_{3/2}
+#
+#
+# -
+#
+# 4d_{3/2}
+#
+#
+# -
+#
+# 4d_{5/2}
+#
+#
+# -
+#
+# 4f_{5/2}
+#
+#
+# -
+#
+# 4f_{7/2}
+#
+#
+# -
+#
+# 5s
+#
+#
+# -
+#
+# 5p_{1/2}
+#
+#
+# -
+#
+# 5p_{3/2}
+#
+#
+# -
+#
+# 5d_{3/2}
+#
+#
+# -
+#
+# 5d_{5/2}
+#
+#
+# -
+#
+# 5f_{5/2}
+#
+#
+# -
+#
+# 5f_{7/2}
+#
+#
+# -
+#
+# 6s
+#
+#
+# -
+#
+# 6p_{1/2}
+#
+#
+# -
+#
+# 6p_{3/2}
+#
+#
+#
+#
+#
+#
+# Electronic orbital configuration of the electronic level.
+#
+#
+# -
+#
+# same as K in level_xray
+#
+#
+# -
+#
+# L1
+#
+#
+# -
+#
+# L3
+#
+#
+# -
+#
+# M1
+#
+#
+# -
+#
+# M2
+#
+#
+# -
+#
+# M3
+#
+#
+# -
+#
+# M4
+#
+#
+# -
+#
+# M5
+#
+#
+# -
+#
+# N1
+#
+#
+# -
+#
+# N2
+#
+#
+# -
+#
+# N3
+#
+#
+# -
+#
+# N4
+#
+#
+# -
+#
+# N5
+#
+#
+# -
+#
+# N6
+#
+#
+# -
+#
+# N7
+#
+#
+# -
+#
+# O1
+#
+#
+# -
+#
+# O2
+#
+#
+# -
+#
+# O3
+#
+#
+# -
+#
+# O4
+#
+#
+# -
+#
+# O5
+#
+#
+# -
+#
+# O6
+#
+#
+# -
+#
+# O7
+#
+#
+# -
+#
+# P1
+#
+#
+# -
+#
+# P2
+#
+#
+# -
+#
+# P3
+#
+#
+#
+#
+#
+#
+# description of X-ray electronic level
+#
+#
+#
+#
+# .. index:: plotting
+#
+# Declares which child group contains a path leading
+# to a :ref:`NXdata` group.
+#
+# It is recommended (as of NIAC2014) to use this attribute
+# to help define the path to the default dataset to be plotted.
+# See https://www.nexusformat.org/2014_How_to_find_default_data.html
+# for a summary of the discussion.
+#
+#
+#
diff --git a/contributed_definitions/nyaml/NXelectronanalyser.yaml b/contributed_definitions/nyaml/NXelectronanalyser.yaml
index 32c99bfb1a..66ed09a20c 100644
--- a/contributed_definitions/nyaml/NXelectronanalyser.yaml
+++ b/contributed_definitions/nyaml/NXelectronanalyser.yaml
@@ -1,6 +1,12 @@
category: base
-doc: |
- Subclass of NXinstrument to describe a photoelectron analyser.
+doc:
+- |
+ Basic class for describing a electron analyzer.
+- |
+ xref:
+ spec: ISO 18115-1:2023
+ term: 12.59
+ url: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:12.59
symbols:
doc: |
The symbols used in the schema to specify e.g. dimensions of arrays
@@ -9,6 +15,8 @@ symbols:
physical quantity)
nsa: |
Number of slow axes (axes acquired scanning a physical quantity)
+ n_transmission_function: |
+ Number of data points in the transmission function.
type: group
NXelectronanalyser(NXobject):
description(NX_CHAR):
@@ -21,22 +29,75 @@ NXelectronanalyser(NXobject):
type: NX_CHAR
doc: |
Acronym or other shorthand name
- energy_resolution(NX_FLOAT):
+ work_function(NX_FLOAT):
unit: NX_ENERGY
doc: |
- Energy resolution of the electron analyser (FWHM of gaussian broadening)
- momentum_resolution(NX_FLOAT):
- unit: NX_WAVENUMBER
+ Work function of the electron analyser.
+
+ The work function of a uniform surface of a conductor is the minimum energy required to remove
+ an electron from the interior of the solid to a vacuum level immediately outside the solid surface.
+
+ The kinetic energy :math:`E_K` of a photoelectron emitted from an energy-level with binding energy
+ :math:`E_B` below the Fermi level is given by :math:`E_K = h\nu - E_B - e \phi_{\mathrm{sample}}`,
+ where :math:`\phi_{\mathrm{sample}}` is the work function of the sample surface. In PES measurements,
+ the sample and the spectrometer (with work function :math:`\phi_{\mathrm{spectr.}}`) are electrically
+ connected and therefore their Fermi levels are aligned. Due to the difference in local vacuum level
+ between the sample and spectrometer, there exists an electric potential difference (contact potential)
+ :math:`\Delta\phi = \phi_{\mathrm{sample}} - \phi_{\mathrm{spectr.}}`. The measured kinetic energy of
+ a photoelectron in PES is therefore given by
+ :math:`E_K^{\mathrm{meas.}} = h\nu - E_B + \Delta \phi = h\nu - E_B - e \phi_{\mathrm{spectr.}}`.
+ As a result, the measured kinetic energy :math:`E_K^{\mathrm{meas.}}` of a photoelectron is `independent`
+ of the sample work function. Nonetheless, the work function :math:`\phi_s` needs to be known to
+ accurately determine the binding energy scale.
+ energy_resolution(NXresolution):
+ doc:
+ - |
+ Energy resolution of the analyser with the current setting. May be linked from an
+ NXcalibration.
+ - |
+ xref:
+ spec: ISO 18115-1:2023
+ term: 10.24
+ url: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:10.24
+ physical_quantity:
+ enumeration: [energy]
+ resolution(NX_FLOAT):
+ unit: NX_ENERGY
+ resolution_errors(NX_FLOAT):
+ unit: NX_ENERGY
+ momentum_resolution(NXresolution):
doc: |
Momentum resolution of the electron analyser (FWHM)
- angular_resolution(NX_FLOAT):
- unit: NX_ANGLE
+ physical_quantity:
+ enumeration: [momentum]
+ resolution(NX_FLOAT):
+ unit: NX_WAVENUMBER
+ resolution_errors(NX_FLOAT):
+ unit: NX_WAVENUMBER
+ angular_resolution(NXresolution):
doc: |
Angular resolution of the electron analyser (FWHM)
- spatial_resolution(NX_FLOAT):
- unit: NX_LENGTH
- doc: |
+ physical_quantity:
+ enumeration: [angle]
+ resolution(NX_FLOAT):
+ unit: NX_ANGLE
+ resolution_errors(NX_FLOAT):
+ unit: NX_ANGLE
+ spatial_resolution(NXresolution):
+ doc:
+ - |
Spatial resolution of the electron analyser (Airy disk radius)
+ - |
+ xref:
+ spec: ISO 18115-1:2023
+ term: 10.15 ff.
+ url: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:10.15
+ physical_quantity:
+ enumeration: [length]
+ resolution(NX_FLOAT):
+ unit: NX_LENGTH
+ resolution_errors(NX_FLOAT):
+ unit: NX_LENGTH
fast_axes(NX_CHAR):
doc: |
List of the axes that are acquired simultaneously by the detector.
@@ -63,17 +124,54 @@ NXelectronanalyser(NXobject):
dimensions:
rank: 1
dim: [[1, nsa]]
+ transmission_function(NXdata):
+ doc:
+ - |
+ Transmission function of the electron analyser.
+ - |
+ The transmission function (TF) specifies the detection efficiency per solid angle for electrons of
+ different kinetic energy passing through the electron analyser. It depends on the spectrometer
+ geometry as well as operation settings such as lens mode and pass energy.
+ The transmission function is usually given as relative intensity vs. kinetic energy.
+ - |
+ The TF is used for calibration of the intensity scale in quantitative XPS. Without proper
+ transmission correction, a comparison of results measured from the same sample using different
+ operating modes for an instrument would show significant variations in atomic
+ concentrations.
+ - |
+ xref:
+ spec: ISO 18115-1:2023
+ term: 7.15 ff.
+ url: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:7.15
+ \@signal:
+ enumeration: [relative_intensity]
+ \@axes:
+ enumeration: [kinetic_energy]
+ kinetic_energy(NX_FLOAT):
+ unit: NX_ENERGY
+ doc: |
+ Kinetic energy values
+ dimensions:
+ rank: 1
+ dim: [[1, n_transmission_function]]
+ relative_intensity(NX_FLOAT):
+ unit: NX_UNITLESS
+ doc: |
+ Relative transmission efficiency for the given kinetic energies
+ dimensions:
+ rank: 1
+ dim: [[1, n_transmission_function]]
depends_on(NX_CHAR):
doc: |
- Refers to the last transformation specifying the positon of the manipulator in
- the NXtransformations chain.
+ Refers to the last transformation specifying the position of the electron analyser
+ in the NXtransformations chain.
(NXtransformations):
doc: |
Collection of axis-based translations and rotations to describe the location and
geometry of the electron analyser as a component in the instrument. Conventions
from the NXtransformations base class are used. In principle, the McStas
coordinate system is used. The first transformation has to point either to
- another component of the system or . (for pointing to the reference frame) to
+ another component of the system or "." (for pointing to the reference frame) to
relate it relative to the experimental setup. Typically, the components of a
system should all be related relative to each other and only one component
should relate to the reference coordinate system.
@@ -91,20 +189,24 @@ NXelectronanalyser(NXobject):
Describes the electron detector
(NXdeflector):
doc: |
- Deflectors outside the main optics ensambles described by the subclasses
+ Deflectors outside the main optics ensembles described by the subclasses
(NXlens_em):
doc: |
- Individual lenses outside the main optics ensambles described by the subclasses
+ Individual lenses outside the main optics ensembles described by the subclasses
+ (NXfabrication):
+ (NXresolution):
+ doc: |
+ Any other resolution not explicitly named in this base class.
# ++++++++++++++++++++++++++++++++++ SHA HASH ++++++++++++++++++++++++++++++++++
-# 4d6adccbc47a79bb1c1a6e54f879331198408c0f0a4503f6aa9093df58cdea12
-#
+# 77bf48ca5f3c738f3a931e2f55804a586c60b70a3306bd5ad22a5fd8d75e1e89
+#
#
#
-#
+#
#
#
# The symbols used in the schema to specify e.g. dimensions of arrays
@@ -137,9 +239,18 @@ NXelectronanalyser(NXobject):
# Number of slow axes (axes acquired scanning a physical quantity)
#
#
+#
+#
+# Number of data points in the transmission function.
+#
+#
#
#
-# Subclass of NXinstrument to describe a photoelectron analyser.
+# Basic class for describing a electron analyzer.
+#
+# This concept is related to term `12.59`_ of the ISO 18115-1:2023 standard.
+#
+# .. _12.59: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:12.59
#
#
#
@@ -156,26 +267,84 @@ NXelectronanalyser(NXobject):
#
#
#
-#
+#
#
-# Energy resolution of the electron analyser (FWHM of gaussian broadening)
+# Work function of the electron analyser.
+#
+# The work function of a uniform surface of a conductor is the minimum energy required to remove
+# an electron from the interior of the solid to a vacuum level immediately outside the solid surface.
+#
+# The kinetic energy :math:`E_K` of a photoelectron emitted from an energy-level with binding energy
+# :math:`E_B` below the Fermi level is given by :math:`E_K = h\nu - E_B - e \phi_{\mathrm{sample}}`,
+# where :math:`\phi_{\mathrm{sample}}` is the work function of the sample surface. In PES measurements,
+# the sample and the spectrometer (with work function :math:`\phi_{\mathrm{spectr.}}`) are electrically
+# connected and therefore their Fermi levels are aligned. Due to the difference in local vacuum level
+# between the sample and spectrometer, there exists an electric potential difference (contact potential)
+# :math:`\Delta\phi = \phi_{\mathrm{sample}} - \phi_{\mathrm{spectr.}}`. The measured kinetic energy of
+# a photoelectron in PES is therefore given by
+# :math:`E_K^{\mathrm{meas.}} = h\nu - E_B + \Delta \phi = h\nu - E_B - e \phi_{\mathrm{spectr.}}`.
+# As a result, the measured kinetic energy :math:`E_K^{\mathrm{meas.}}` of a photoelectron is `independent`
+# of the sample work function. Nonetheless, the work function :math:`\phi_s` needs to be known to
+# accurately determine the binding energy scale.
#
#
-#
+#
+#
+# Energy resolution of the analyser with the current setting. May be linked from an
+# NXcalibration.
+#
+# This concept is related to term `10.24`_ of the ISO 18115-1:2023 standard.
+#
+# .. _10.24: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:10.24
+#
+#
+#
+# -
+#
+# Calibrated kinetic energy axis.
+#
+# In case the kinetic energy axis is referenced to the Fermi level :math:`E_F`
+# (e.g., in entry/process/energy_referencing), kinetic energies :math:`E` are
+# provided as :math:`E-E_F`.
+#
+# This concept is related to term `3.35`_ of the ISO 18115-1:2023 standard.
+#
+# .. _3.35: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:3.35
+#
+#
+# -
+#
+# Calibrated binding energy axis.
+#
+# This concept is related to term `12.16`_ of the ISO 18115-1:2023 standard.
+#
+# .. _12.16: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:12.16
+#
+#
+#
+#
+#
+#
+#
+#
+# The energy can be dispersed according to different strategies. ``energy_depends`` points to
+# the path of a field defining the calibrated axis on which the energy axis depends.
+#
+# For example:
+# @energy_depends: 'entry/process/energy_calibration'
+#
+#
#
#
#
diff --git a/contributed_definitions/nyaml/NXpid.yaml b/contributed_definitions/nyaml/NXpid.yaml
index 8ba001de93..2804bf46a8 100644
--- a/contributed_definitions/nyaml/NXpid.yaml
+++ b/contributed_definitions/nyaml/NXpid.yaml
@@ -23,6 +23,9 @@ NXpid(NXobject):
The Setpoint(s) used as an input for the PID controller.
It can also be a link to an NXsensor.value field.
+ setpoint_log(NXlog):
+ doc: |
+ Time log of the setpoint(s) used as an input for the PID controller.
K_p_value(NX_NUMBER):
doc: |
Proportional term. The proportional term produces an output value
@@ -55,14 +58,14 @@ NXpid(NXobject):
time constant are related as follows I = P/T.
# ++++++++++++++++++++++++++++++++++ SHA HASH ++++++++++++++++++++++++++++++++++
-# 4968f689bb36aeb5edc3b4ec8880134bb1d4fb6735709e32b482405c511409d5
-#
+# aadcc7fe3aacdc2888a03ae22cc82dc7e65996a3dce2e0af4d6bd0a9fcfcecee
+#
#
#
-#
+#
#
# Contains the settings of a PID controller.
#
@@ -111,6 +114,11 @@ NXpid(NXobject):
# It can also be a link to an NXsensor.value field.
#
#
+#
+#
+# Time log of the setpoint(s) used as an input for the PID controller.
+#
+#
#
#
# Proportional term. The proportional term produces an output value
diff --git a/contributed_definitions/nyaml/NXprocess_mpes.yaml b/contributed_definitions/nyaml/NXprocess_mpes.yaml
new file mode 100644
index 0000000000..bf1833a521
--- /dev/null
+++ b/contributed_definitions/nyaml/NXprocess_mpes.yaml
@@ -0,0 +1,266 @@
+category: base
+doc: |
+ :ref:`NXprocess_mpes` describes events of data processing, reconstruction,
+ or analysis for MPES-related data.
+
+ It extends the NXprocess class and provides a glossary of explicitly named processes
+ and their metadata which are typical for MPES data.
+type: group
+NXprocess_mpes(NXprocess):
+ energy_calibration(NXcalibration):
+ doc: |
+ Calibration event on the energy axis.
+
+ For XPS, the calibration should ideally be performed according to
+ `ISO 15472:2010`_ specification.
+
+ .. _ISO 15472:2010: https://www.iso.org/standard/74811.html
+ calibrated_axis(NX_FLOAT):
+ doc: |
+ This is the calibrated energy axis to be used for data plotting.
+ angular_calibration(NXcalibration):
+ calibrated_axis(NX_FLOAT):
+ doc: |
+ This is the calibrated angular axis to be used for data plotting.
+ spatial_calibration(NXcalibration):
+ calibrated_axis(NX_FLOAT):
+ doc: |
+ This is the calibrated spatial axis to be used for data plotting.
+ momentum_calibration(NXcalibration):
+ exists: optional
+ calibrated_axis(NX_FLOAT):
+ doc: |
+ This is the momentum axis to be used for data plotting.
+ energy_referencing(NXcalibration):
+ doc:
+ - |
+ For energy referencing, the measured energies are corrected for the charging potential
+ (i.e., the electrical potential of the surface region of an insulating sample, caused by
+ irradiation) such that those energies correspond to a sample with no surface charge.
+ Usually, the energy axis is adjusted by shifting all energies uniformally until one
+ well-defined emission line peak (or the Fermi edge) is located at a known _correct_ energy.
+ - |
+ xref:
+ spec: ISO 18115-1:2023
+ term: 12.74 ff.
+ url: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:12.74
+ level(NXelectron_level):
+ doc: |
+ Electronic core or valence level that was used for the calibration.
+ reference_peak:
+ doc: |
+ Reference peak that was used for the calibration.
+
+ For example: adventitious carbon | C-C | metallic Au | elemental Si | Fermi edge | vacuum level
+ binding_energy(NX_FLOAT):
+ doc:
+ - |
+ The binding energy (in units of eV) that the specified emission line appeared at,
+ after adjusting the binding energy scale.
+ - |
+ xref:
+ spec: ISO 18115-1:2023
+ term: 12.16_ ff.
+ url: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:12.16
+ offset(NX_FLOAT):
+ doc: |
+ Offset between measured binding energy and calibrated binding energy of the
+ emission line.
+ calibrated_axis(NX_FLOAT):
+ doc: |
+ This is the calibrated energy axis to be used for data plotting.
+
+ This should link to /entry/data/energy.
+ transmission_correction(NXcalibration):
+ doc: |
+ In the transmission correction, each intensity measurement for electrons of a given
+ kinetic energy is multiplied by the corresponding value in the relative_intensity
+ field of the transmission_function. This calibration procedure is used to account for
+ the different tranmsission efficiencies when using different lens modes.
+ transmission_function(NXdata):
+ doc: |
+ Transmission function of the electron analyser.
+
+ The transmission function (TF) specifies the detection efficiency for electrons of
+ different kinetic energy passing through the electron analyser.
+ This can be a link to /entry/instrument/electronanalyser/transmission_function.
+ \@signal:
+ enumeration: [relative_intensity]
+ \@axes:
+ enumeration: [kinetic_energy]
+ kinetic_energy(NX_FLOAT):
+ unit: NX_ENERGY
+ doc: |
+ Kinetic energy values
+ dimensions:
+ rank: 1
+ dim: [[1, n_transmission_function]]
+ relative_intensity(NX_FLOAT):
+ unit: NX_UNITLESS
+ doc: |
+ Relative transmission efficiency for the given kinetic energies
+ dimensions:
+ rank: 1
+ dim: [[1, n_transmission_function]]
+
+# ++++++++++++++++++++++++++++++++++ SHA HASH ++++++++++++++++++++++++++++++++++
+# 8c2be91055cba41fd23b23cc1ec13a132da3afa32a9fb666f8242e34c864aa68
+#
+#
+#
+#
+#
+# :ref:`NXprocess_mpes` describes events of data processing, reconstruction,
+# or analysis for MPES-related data.
+#
+# It extends the NXprocess class and provides a glossary of explicitly named processes
+# and their metadata which are typical for MPES data.
+#
+#
+#
+# Calibration event on the energy axis.
+#
+# For XPS, the calibration should ideally be performed according to
+# `ISO 15472:2010`_ specification.
+#
+# .. _ISO 15472:2010: https://www.iso.org/standard/74811.html
+#
+#
+#
+# This is the calibrated energy axis to be used for data plotting.
+#
+#
+#
+#
+#
+#
+# This is the calibrated angular axis to be used for data plotting.
+#
+#
+#
+#
+#
+#
+# This is the calibrated spatial axis to be used for data plotting.
+#
+#
+#
+#
+#
+#
+# This is the momentum axis to be used for data plotting.
+#
+#
+#
+#
+#
+# For energy referencing, the measured energies are corrected for the charging potential
+# (i.e., the electrical potential of the surface region of an insulating sample, caused by
+# irradiation) such that those energies correspond to a sample with no surface charge.
+# Usually, the energy axis is adjusted by shifting all energies uniformally until one
+# well-defined emission line peak (or the Fermi edge) is located at a known _correct_ energy.
+#
+# This concept is related to term `12.74 ff.`_ of the ISO 18115-1:2023 standard.
+#
+# .. _12.74 ff.: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:12.74
+#
+#
+#
+# Electronic core or valence level that was used for the calibration.
+#
+#
+#
+#
+# Reference peak that was used for the calibration.
+#
+# For example: adventitious carbon | C-C | metallic Au | elemental Si | Fermi edge | vacuum level
+#
+#
+#
+#
+# The binding energy (in units of eV) that the specified emission line appeared at,
+# after adjusting the binding energy scale.
+#
+# This concept is related to term `12.16_ ff.`_ of the ISO 18115-1:2023 standard.
+#
+# .. _12.16_ ff.: https://www.iso.org/obp/ui/en/#iso:std:iso:18115:-1:ed-3:v1:en:term:12.16
+#
+#
+#
+#
+# Offset between measured binding energy and calibrated binding energy of the
+# emission line.
+#
+#
+#
+#
+# This is the calibrated energy axis to be used for data plotting.
+#
+# This should link to /entry/data/energy.
+#
+#
+#
+#
+#
+# In the transmission correction, each intensity measurement for electrons of a given
+# kinetic energy is multiplied by the corresponding value in the relative_intensity
+# field of the transmission_function. This calibration procedure is used to account for
+# the different tranmsission efficiencies when using different lens modes.
+#
+#
+#
+# Transmission function of the electron analyser.
+#
+# The transmission function (TF) specifies the detection efficiency for electrons of
+# different kinetic energy passing through the electron analyser.
+# This can be a link to /entry/instrument/electronanalyser/transmission_function.
+#
+#
+#
+#