From 88802aae35147ae7327553bb77e48fcc93585095 Mon Sep 17 00:00:00 2001 From: woutdenolf Date: Thu, 15 Aug 2024 11:45:43 +0200 Subject: [PATCH] NIAC suggestions: start with simple example at the top, histogram axis +1, indices can be omitted, indices cannot contradict @axes --- base_classes/NXdata.nxdl.xml | 313 ++- base_classes/data/example2D_hist.excalidraw | 2086 +++++++++++++++++++ base_classes/data/example2D_hist.png | Bin 0 -> 114752 bytes 3 files changed, 2227 insertions(+), 172 deletions(-) create mode 100644 base_classes/data/example2D_hist.excalidraw create mode 100644 base_classes/data/example2D_hist.png diff --git a/base_classes/NXdata.nxdl.xml b/base_classes/NXdata.nxdl.xml index 147d88812e..e1d79defe5 100644 --- a/base_classes/NXdata.nxdl.xml +++ b/base_classes/NXdata.nxdl.xml @@ -60,222 +60,183 @@ does not describe how the data is to be plotted or even the dimensionality of the plot. https://www.nexusformat.org/NIAC2018Minutes.html#nxdata-plottype--attribute - **Signals:** - - .. index:: plotting - - The :ref:`DATA </NXdata/DATA-field>` fields contain the signal values to be plotted. The name of the field - to be used as the *default plot signal* is provided by the :ref:`signal </NXdata@signal-attribute>` attribute. - The names of the fields to be used as *secondary plot signals* are provided by the - :ref:`auxiliary_signals</NXdata@auxiliary_signals-attribute>` attribute. + **Usage:** - An example with three signals, one of which being the default - - .. code-block:: - - data:NXdata - @signal = "data1" - @auxiliary_signals = ["data2", "data3"] - data1: float[10,20,30] --> the default signal - data2: float[10,20,30] - data3: float[10,20,30] - - **Axes:** - - .. index:: axes (attribute) - .. index:: coordinates + .. admonition:: Plot data signal versus x axis - The :ref:`AXISNAME </NXdata/AXISNAME-field>` fields contain the axis coordinates associated with the signal values. + .. code-block:: - ``Default axes`` + data:NXdata + @signal = "data" + @axes = ["x"] + data: float[100] + x: float[100] - The :ref:`axes </NXdata@axes-attribute>` attribute provides the names of the :ref:`AXISNAME </NXdata/AXISNAME-field>` - fields to be used as the default axis for each dimension of the :ref:`DATA </NXdata/DATA-field>` fields. - As a result the length of the :ref:`axes </NXdata@axes-attribute>` attribute must be equal to the rank of the :ref:`DATA </NXdata/DATA-field>` - fields. When a particular dimension has no default axis, the string “.” is used in that position. + More complex cases are supported - ``Spanned dimensions`` + * histogram data: ``x`` has one more value than ``data``. + * alternative axes: instead of a single ``x`` axis you can have several axes, one of which being the default. + * signals with more than one dimension: ``data`` could be 2D with axes ``x`` and ``y`` along each dimension. + * axes with more than one dimension: ``data`` could be 2D with axes ``x`` and ``y`` also being 2D, providing a + unique ``[x, y]`` coordinate for each ``data`` point. - The :ref:`AXISNAME_indices </NXdata@AXISNAME_indices-attribute>` attributes describe the - :ref:`DATA </NXdata/DATA-field>` dimensions spanned by the corresponding :ref:`AXISNAME </NXdata/AXISNAME-field>` fields. - - When :ref:`AXISNAME_indices </NXdata@AXISNAME_indices-attribute>` is missing for a given :ref:`AXISNAME </NXdata/AXISNAME-field>` field, - the position(s) of the :ref:`AXISNAME </NXdata/AXISNAME-field>` field name in the :ref:`axes </NXdata@axes-attribute>` attribute - is(are) used. The shape of an :ref:`AXISNAME </NXdata/AXISNAME-field>` field must be equal to the shape of the - :ref:`DATA </NXdata/DATA-field>` dimensions it spans. This means that ``AXISNAME.shape[i] == DATA.shape[AXISNAME_indices[i]]`` - for each ``i`` in ``[0, AXISNAME.ndim)``. + **Signals:** - Note that an :ref:`AXISNAME </NXdata/AXISNAME-field>` field can have more than one dimension and can therefore span - more than one :ref:`DATA </NXdata/DATA-field>` dimension. Conversely, one :ref:`DATA </NXdata/DATA-field>` dimension - can be spanned by more than one :ref:`AXISNAME </NXdata/AXISNAME-field>` field. As stated before, the default - axis name (if any) of each dimension can be found in the :ref:`axes </NXdata@axes-attribute>` attribute. + .. index:: plotting - ``Available axes`` + .. admonition:: Defined by - With this definition of the :ref:`axes </NXdata@axes-attribute>` and :ref:`AXISNAME_indices </NXdata@AXISNAME_indices-attribute>` attributes - a list of all available axes is not provided directly. All strings in the :ref:`axes </NXdata@axes-attribute>` attribute - (excluding the “.” string) are axis field names. In addition the prefix of an attribute ending with the string "_indices" is also - an axis field name. + * :ref:`DATA </NXdata/DATA-field>` fields + * the :ref:`signal </NXdata@signal-attribute>` attribute + * the :ref:`auxiliary_signals</NXdata@auxiliary_signals-attribute>` attribute - **Axes examples:** + The :ref:`DATA </NXdata/DATA-field>` fields contain the signal values to be plotted. The name of the field + to be used as the *default plot signal* is provided by the :ref:`signal </NXdata@signal-attribute>` attribute. + The names of the fields to be used as *secondary plot signals* are provided by the + :ref:`auxiliary_signals</NXdata@auxiliary_signals-attribute>` attribute. - ``1. Single-dimensional axes`` + .. admonition:: An example with three signals, one of which being the default - :ref:`AXISNAME </NXdata/AXISNAME-field>` fields are typically one-dimensional arrays that span a single :ref:`DATA </NXdata/DATA-field>` dimension. + .. code-block:: - An example of this would be 2D data on a regular coordinate grid + data:NXdata + @signal = "data1" + @auxiliary_signals = ["data2", "data3"] + data1: float[10,20,30] --> the default signal + data2: float[10,20,30] + data3: float[10,20,30] - .. code-block:: + **Axes:** - data:NXdata - @signal = "data" - @axes = ["x", "y"] - data: float[10,20] - x: float[10] --> coordinates along the first dimension - y: float[20] --> coordinates along the second dimension + .. index:: axes (attribute) + .. index:: coordinates - In this example each data point ``data[i,j]`` has axis coordinates ``[x[i], y[j]]``. + .. admonition:: Defined by - Note that ``@x_indices`` and ``@y_indices`` attributes can be omitted in this case. However it is strongly encouraged to provide them. + * :ref:`AXISNAME </NXdata/AXISNAME-field>` fields + * the :ref:`axes </NXdata@axes-attribute>` attribute + * :ref:`AXISNAME_indices </NXdata@AXISNAME_indices-attribute>` attributes - ``2. Data dimensions spanned by more than one axis`` + The fields and attributes are defined as follows - A common case is the need to specify alternative axes for the same dimension + 1. The :ref:`AXISNAME </NXdata/AXISNAME-field>` fields contain the axis coordinates associated with the signal values. - .. code-block:: + 2. The :ref:`axes </NXdata@axes-attribute>` attribute provides the names of the :ref:`AXISNAME </NXdata/AXISNAME-field>` + fields to be used as the `default axis` for each dimension of the :ref:`DATA </NXdata/DATA-field>` fields. - data:NXdata - @signal = "data" - @axes = ["eta", "q"] - data: float[10,20] - @eta_indices = [0] - @tth_indices = [1] - @q_indices = [1] - eta: float[10] --> coordinates along the first dimension - tth: float[20] --> coordinates along the second dimension (alternative) - q: float[20] --> coordinates along the second dimension (default) + 3. The :ref:`AXISNAME_indices </NXdata@AXISNAME_indices-attribute>` attributes describe the :ref:`DATA </NXdata/DATA-field>` + dimensions spanned by the corresponding :ref:`AXISNAME </NXdata/AXISNAME-field>` fields. - Note that to recognize ``tth`` as an axis, ``@tth_indices`` must be present. Readers that do - not make use of the :ref:`AXISNAME_indices </NXdata@AXISNAME_indices-attribute>` attributes will - not understand that ``tth`` is an axis and cannot take this field into account. + Additional requirements for a complete definition - ``3. Multi-dimensional axes`` + 1. The length of the :ref:`axes </NXdata@axes-attribute>` attribute must be equal to the rank of the :ref:`DATA </NXdata/DATA-field>` + fields. When a particular dimension has no default axis, the string “.” is used in that position. - When coordinates do not form a regular grid, multi-dimensional :ref:`AXISNAME </NXdata/AXISNAME-field>` fields - can be used. Just remember that the shape of an :ref:`AXISNAME </NXdata/AXISNAME-field>` field must be equal to the shape - of the :ref:`DATA </NXdata/DATA-field>` dimensions it spans. + 2. The number of values in :ref:`AXISNAME_indices </NXdata@AXISNAME_indices-attribute>` must be equal to the rank of the corresponding + :ref:`AXISNAME </NXdata/AXISNAME-field>` field. - An example of this would be 2D scatter data where each data point has unique coordinates + 3. When :ref:`AXISNAME_indices </NXdata@AXISNAME_indices-attribute>` is missing for a given + :ref:`AXISNAME </NXdata/AXISNAME-field>` field, the position(s) of the :ref:`AXISNAME </NXdata/AXISNAME-field>` + field name in the :ref:`axes </NXdata@axes-attribute>` attribute is(are) used. - .. code-block:: + 4. When :ref:`AXISNAME_indices </NXdata@AXISNAME_indices-attribute>` is the same as the indices of "AXISNAME" in the + :ref:`axes </NXdata@axes-attribute>` attribute, there is no need to provide + :ref:`AXISNAME_indices </NXdata@AXISNAME_indices-attribute>`. - data:NXdata - @signal = "data" - @axes = ["x", "y"] - @x_indices = [0, 1] - @y_indices = [0, 1] - data: float[10,20] - x: float[10,20] --> coordinates along both dimensions - y: float[10,20] --> coordinates along both dimensions + 6. The shape of an :ref:`AXISNAME </NXdata/AXISNAME-field>` field must correspond to the shape of the + :ref:`DATA </NXdata/DATA-field>` dimensions it spans. This means that for each dimension ``i`` in ``[0, AXISNAME.ndim)`` + spanned by an :ref:`AXISNAME </NXdata/AXISNAME-field>` field the number of data points along this dimension + ``DATA.shape[AXISNAME_indices[i]]`` must be equal to the number of axis values along this dimension ``AXISNAME.shape[i]`` + or the number of bin edges ``AXISNAME.shape[i]+1`` in case of histogram data. - In this example each data point ``data[i,j]`` has axis coordinates ``[x[i,j], y[i,j]]`` and when - plotting, ``x`` is used along the first data dimension by default and `y` along the second data dimension. - Since ``x`` and ``y`` span both dimensions, a reader could choose to use ``y`` for the first dimension - and ``x`` for the second as an alternative to the default. A writer could also choose to not specify - any default by defining ``@axes = [".", "."]`` and leave the decision up the the reader. + 7. The indices of "AXISNAME" in the :ref:`axes </NXdata@axes-attribute>` attribute must be a subset of + :ref:`AXISNAME_indices </NXdata@AXISNAME_indices-attribute>`. - Note that omitting ``@x_indices`` would result in ``@x_indices = [0]`` as derived from the position of the string ``"x"`` in ``@axes``. - This would be invalid since the shape ``[10,20]`` of ``x`` is not equal to the shape ``[10]`` of the spanned data dimensions. + Highlight concequences that follow the definition - Omitting indices for multi-dimensional axes can only be done by repeating the :ref:`AXISNAME </NXdata/AXISNAME-field>` - name in all positions of the :ref:`axes </NXdata@axes-attribute>` attribute which they span. For example + 1. An :ref:`AXISNAME </NXdata/AXISNAME-field>` field can have more than one dimension and can therefore span + more than one :ref:`DATA </NXdata/DATA-field>` dimension. Conversely, one :ref:`DATA </NXdata/DATA-field>` dimension + can be spanned by more than one :ref:`AXISNAME </NXdata/AXISNAME-field>` field. The default axis name (if any) + of each dimension can be found in the :ref:`axes </NXdata@axes-attribute>` attribute. - .. code-block:: + 2. A list of all available axes is not provided directly. All strings in the :ref:`axes </NXdata@axes-attribute>` attribute + (excluding the “.” string) are axis field names. In addition the prefix of an attribute ending with the string "_indices" is also + an axis field name. - data:NXdata - @signal = "data" - @axes = ["x", "x"] - data: float[10,20] - x: float[10,20] --> coordinates along both dimensions + .. admonition:: The following example covers all axes features supported - Note that since ``NXdata`` does not describe how the data is to be plotted or even the dimensionality of the plot, - a reader would probably treat this particular example as a 1D signal and plot it as such. + .. code-block:: - In the case of multi-dimensional axes, single-dimensional axes are often introduced as default axes - to support readers that do not make use of the :ref:`AXISNAME_indices </NXdata@AXISNAME_indices-attribute>` attributes - or cannot handle multi-dimensional axes. + data:NXdata + @signal = "data" + @axes = ["x_set", "y_set", "."] --> default axes for all three dimensions + @x_encoder_indices = [0, 1] + @y_encoder_indices = 1 --> or [1] + data: float[10,7,1024] + x_encoder: float[11,7] --> coordinates along the first and second dimensions + y_encoder: float[7] --> coordinates along the second dimension + x_set: float[10] --> coordinates along the first dimension + y_set: float[7] --> coordinates along the second dimension - The 2D scatter example can be enriched as follows + One scientific application that provided such data is 2D scanning X-ray Fluorescence + where the sample is scanned through a focussed X-ray beam in two dimensions and an XRF spectrum + with 1024 channels is recorded at each position. In addition the x motor is scanned + continuously and both motors have an encoder which records the actual motor position as + opposed to the requested or `set` position. - .. code-block:: + .. image:: data/example2D_hist.png + :width: 100% - data:NXdata - @signal = "data" - @axes = ["x_set", "y_set"] - @x_indices = [0, 1] - @y_indices = [0, 1] - @x_set_indices = 0 --> or [0] - @y_set_indices = 1 --> or [1] - data: float[10,20] - x: float[10,20] --> coordinates along both dimensions - y: float[10,20] --> coordinates along both dimensions - x_set: float[10] --> coordinates along the first dimension - y_set: float[20] --> coordinates along the second dimension + 1. ``@axes`` has three values which corresponds to the ``data`` rank of three - The first dimension is spanned by three axes: ``x``, ``y`` and ``x_set``. The second dimension is also - spanned by three axes: ``x``, ``y`` and ``y_set``. + 2. ``x_set`` and ``y_set`` are the default axes for the first two dimensions while the third + dimension does not have a default axis or any axis for that matter. - Technically ``@x_set_indices`` and ``@y_set_indices`` can be omitted. However it is strongly encouraged to provide them. + 3. ``x_set_indices`` and ``y_set_indices`` are omitted because they would be equal to + the position of ``"x_set"`` and ``"y_set"`` in ``@axes``. - ``4. Axes without defaults`` + 4. The first dimension is spanned by two axes ``x_set`` and ``x_encoder``. Since + the x motor is scanned continuously, the encoder records the edge of every bin + on which an XRF spectrum is recorded yielding 11 values instead of 10 along the + first dimension. The ``x_encoder`` spans two dimensions because the actual x edges + are slightly different for every x motion at each y position. - Expanding on the previous example, a stack of 2D scatter data where the stack dimension - does not have an axis can be described as follows + 5. The second dimension is spanned by two axes ``y_set`` and ``y_encoder``. The axes + have as many values are there are data points along the second dimension. This is + because the y motor moves one step after each scan of the x motor. Since the y + motor does not move while scanning x, there is no need for ``y_encoder`` to span + the first dimension because the value along this dimension remains constant. - .. code-block:: + **Uncertainties:** - data:NXdata - @signal = "data" - @axes = [".", "x_set", "y_set"] - @x_indices = [1, 2] - @y_indices = [1, 2] - @x_set_indices = 1 - @y_set_indices = 2 - data: float[5,10,20] - x: float[10,20] --> coordinates along the last two dimensions - y: float[10,20] --> coordinates along the last two dimensions - x_set: float[10] --> coordinates along the second dimension - y_set: float[20] --> coordinates along the third dimension - - Note that the first dimension does not have a default axis but this doesn't necessarily mean - the first dimension is not spanned by any axis, although in this example that is the case. + .. admonition:: Defined by - **Uncertainties:** + * :ref:`FIELDNAME_errors </NXdata/FIELDNAME_errors-field>` fields Standard deviations on data values as well as coordinates can be provided by :ref:`FIELDNAME_errors </NXdata/FIELDNAME_errors-field>` fields where ``FIELDNAME`` is the name of a :ref:`DATA </NXdata/DATA-field>` field or an :ref:`AXISNAME </NXdata/AXISNAME-field>` field. - An example of uncertainties on the signal, auxiliary signals and axis coordinates - - .. code-block:: - - data:NXdata - @signal = "data1" - @auxiliary_signals = ["data2", "data3"] - @axes = ["x", "z"] - @x_indices = 0 - @z_indices = 2 - data1: float[10,20,30] - data2: float[10,20,30] - data3: float[10,20,30] - x: float[10] - z: float[30] - data1_errors: float[10,20,30] - data2_errors: float[10,20,30] - data3_errors: float[10,20,30] - x_errors: float[10] - z_errors: float[30] + .. admonition:: An example of uncertainties on the signal, auxiliary signals and axis coordinates + + .. code-block:: + + data:NXdata + @signal = "data1" + @auxiliary_signals = ["data2", "data3"] + @axes = ["x", ".", "z"] + @x_indices = 0 + @z_indices = 2 + data1: float[10,20,30] + data2: float[10,20,30] + data3: float[10,20,30] + x: float[10] + z: float[30] + data1_errors: float[10,20,30] + data2_errors: float[10,20,30] + data3_errors: float[10,20,30] + x_errors: float[10] + z_errors: float[30] @@ -363,7 +324,9 @@ The ``AXISNAME_indices`` attribute is a single integer or an array of integers that defines which :ref:`DATA </NXdata/DATA-field>` - dimension(s) are spanned by the corresponding axis. The first dimension index is ``0`` (zero). + dimension(s) is(are) spanned by the corresponding axis. The first dimension index is ``0`` (zero). + + The number of indices must be equal to the rank of the :ref:`AXISNAME </NXdata/AXISNAME-field>` field. When the ``AXISNAME_indices`` attribute is missing for a given :ref:`AXISNAME </NXdata/AXISNAME-field>` field, its value becomes the index (or indices) of the :ref:`AXISNAME </NXdata/AXISNAME-field>` name in the :ref:`axes </NXdata@axes-attribute>` attribute. @@ -392,8 +355,12 @@ - Coordinate values along one or more :ref:`DATA </NXdata/DATA-field>` dimensions. The shape of an ``AXISNAME`` field - must be equal to the shape of the :ref:`DATA </NXdata/DATA-field>` dimensions it spans. + Coordinate values along one or more :ref:`DATA </NXdata/DATA-field>` dimensions. + + The shape of an ``AXISNAME`` field must correspond to the shape of the :ref:`DATA </NXdata/DATA-field>` + dimensions it spans. This means that for each ``i`` in ``[0, AXISNAME.ndim)`` the number of data points + ``DATA.shape[AXISNAME_indices[i]]`` must be equal to the number of coordinates ``AXISNAME.shape[i]`` or the + number of bin edges ``AXISNAME.shape[i]+1`` in case of histogram data. As the upper case ``AXISNAME`` indicates, the names of the ``AXISNAME`` fields can be chosen :ref:`freely <validItemName>`. @@ -473,10 +440,12 @@ "Errors" (meaning *uncertainties* or *standard deviations*) associated with any field named ``FIELDNAME`` in this ``NXdata`` - group (e.g. an axis, signal or auxiliary signal). + group. This can be a :ref:`DATA </NXdata/DATA-field>` field + (signal or auxiliary signal) or a :ref:`AXISNAME </NXdata/AXISNAME-field>` + field (axie). 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