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Adds changes from Uwes and Stephans comments
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@domna @lukaspie
domna authored and lukaspie committed Jul 12, 2024
1 parent 2ff8fa9 commit 263c872
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89 changes: 39 additions & 50 deletions contributed_definitions/NXmpes_liquid.nxdl.xml
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Original file line number Diff line number Diff line change
Expand Up @@ -23,8 +23,9 @@
-->
<definition xmlns="http://definition.nexusformat.org/nxdl/3.1" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" category="application" name="NXmpes_liquid" extends="NXmpes" type="group" xsi:schemaLocation="http://definition.nexusformat.org/nxdl/3.1 ../nxdl.xsd">
<doc>
This is the application definition for multidimensional photoelectron
spectroscopy on liquids.
This is the application definition for multidimensional photoelectron spectroscopy on liquids.
It extends the NXmpes application definition by metadata for characterizing liquidjet composition
and geometry.
</doc>
<group type="NXentry">
<field name="definition">
Expand All @@ -34,44 +35,40 @@
</enumeration>
</field>
<group type="NXinstrument">
<group type="NXelectronanalyser">
<group name="instrument_orientation" type="NXtransformations" optional="true">
<group name="instrument_orientation" type="NXtransformations" optional="true">
<doc>
Transformations describing base geometry in the experiment.
Usually defaults to the beam in z direction and gravity in -y direction.
</doc>
<field name="analyzer_optical_axis" type="NX_NUMBER" recommended="true">
<doc>
Transformations describing base geometry in the experiment.
Usually defaults to the beam in z direction and gravity in -y direction.
The coordinate system frame of the analyzer.
If no direction attribute is specified,
the optical axis of the analyzer follows the positive z-direction.
</doc>
<field name="analyzer_optical_axis" type="NX_NUMBER" recommended="true">
<attribute name="gravity">
<doc>
The optical axis of the analyzer
Direction of gravity in the analyzer coordinate system.
</doc>
<attribute name="gravity">
<doc>
Direction of gravity in the analyzer coordinate system.
</doc>
</attribute>
<attribute name="beam_direction">
<doc>
Direction of the photon beam in the analyzer coordinate system.
</doc>
</attribute>
</field>
</group>
</attribute>
<attribute name="beam_direction">
<doc>
Direction of the photon beam in the analyzer coordinate system.
</doc>
</attribute>
<attribute name="direction">
<doc>
The direction of the analyzer optical axis.
If this is not specified the optical axis points
in the positive jet direction.
It is recommended to always specify the axis
direction explicitly (even for the default case).
</doc>
</attribute>
</field>
</group>
</group>
<group type="NXsample">
<field name="chemical_formula" optional="true">
<doc>
In the case of a fixed temperature measurement this is the scalar temperature of the sample.
In the case of an experiment in which the temperature is changed and recoded,
this is an array of length m of temperatures.
</doc>
</field>
<field name="electric_field" type="NX_FLOAT" recommended="true" units="NX_VOLTAGE">
<doc>
Electric field applied to the sample with respect to
ground / the system, e.g., via biasing.
</doc>
</field>
<field name="thickness" type="NX_FLOAT" recommended="true" units="NX_LENGTH">
<doc>
Thickness of the sample in normal direction to the surface that is probed,
Expand All @@ -81,7 +78,7 @@
<field name="flow_rate" type="NX_FLOAT" recommended="true" units="NX_ANY">
<doc>
Flow rate of the liquid into the chamber, i.e.,
throught the microjet capillary (or in case of a flat jet: both capillaries).
through the microjet capillary (or in case of a flat jet: both capillaries).
Unit should be NX_VOLUME / NX_TIME.
</doc>
</field>
Expand All @@ -106,8 +103,8 @@
<doc>
Transformations describing the transformation chain of the liquid jet flow direction
and optionally the flat jet normal. The vector of the major flow direction of the
liquid jet from the injection into the chamber.
Along the cylinder axis for single, cylidrical jets, and parallel to the leaf plane for flatjets.
liquid jet from the point of injection into the chamber.
Along the cylinder axis for single, cylindrical jets, and parallel to the leaf plane for flatjets.
</doc>
<field name="jet_direction" type="NX_NUMBER" units="NX_ANGLE">
<doc>
Expand Down Expand Up @@ -177,7 +174,10 @@
<group name="solventSOLVENT" type="NXsample_component">
<doc>
Solvent substance of the liquid jet.
This also accounts for multiple jets if more than one solvent is given.
For flat jets, this group may appear more than once.
If a mixture of solvents is used,
the one with the highest mol fraction should be designated solvent,
and the other(s) solute(s) (see solute group).
</doc>
<field name="description" type="NX_CHAR" recommended="true"/>
<field name="name" type="NX_CHAR"/>
Expand All @@ -195,7 +195,8 @@
<field name="ph_adjustment" type="NX_BOOLEAN" optional="true">
<doc>
Whether or not agents for pH adjustment were added to the solution.
In this case, users are encouraged to expand on that in preparation_description.
In this case, users are encouraged to expand on that in preparation_description
or add a corresponding solute group.
</doc>
</field>
<field name="mol_fraction" type="NX_FLOAT" optional="true" units="NX_ANY">
Expand Down Expand Up @@ -231,17 +232,5 @@
</field>
</group>
</group>
<group type="NXdata">
<attribute name="axes" type="NX_CHAR">
<enumeration>
<item value="energy"/>
</enumeration>
</attribute>
<field name="energy" type="NX_NUMBER" units="NX_ENERGY">
<doc>
Data containing the energy axis.
</doc>
</field>
</group>
</group>
</definition>
73 changes: 34 additions & 39 deletions contributed_definitions/nyaml/NXmpes_liquid.yaml
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Original file line number Diff line number Diff line change
@@ -1,41 +1,39 @@
doc: |
This is the application definition for multidimensional photoelectron spectroscopy on liquids.
It extends the NXmpes application definition by metadata for characterizing liquidjet composition
and geometry.
category: application
NXmpes_liquid(NXmpes):
(NXentry):
definition:
\@version:
enumeration: ["NXmpes_liquid"]
(NXinstrument):
(NXelectronanalyser):
instrument_orientation(NXtransformations):
instrument_orientation(NXtransformations):
doc: |
Transformations describing base geometry in the experiment.
Usually defaults to the beam in z direction and gravity in -y direction.
exists: optional
analyzer_optical_axis(NX_NUMBER):
exists: recommended
doc: |
Transformations describing base geometry in the experiment.
Usually defaults to the beam in z direction and gravity in -y direction.
exists: optional
analyzer_optical_axis(NX_NUMBER):
exists: recommended
The coordinate system frame of the analyzer.
If no direction attribute is specified,
the optical axis of the analyzer follows the positive z-direction.
\@gravity:
doc: |
Direction of gravity in the analyzer coordinate system.
\@beam_direction:
doc: |
Direction of the photon beam in the analyzer coordinate system.
\@direction:
doc: |
The optical axis of the analyzer
\@gravity:
doc: |
Direction of gravity in the analyzer coordinate system.
\@beam_direction:
doc: |
Direction of the photon beam in the analyzer coordinate system.
The direction of the analyzer optical axis.
If this is not specified the optical axis points
in the positive jet direction.
It is recommended to always specify the axis
direction explicitly (even for the default case).
(NXsample):
chemical_formula:
exists: optional
doc: |
In the case of a fixed temperature measurement this is the scalar temperature of the sample.
In the case of an experiment in which the temperature is changed and recoded,
this is an array of length m of temperatures.
electric_field(NX_FLOAT):
exists: recommended
unit: NX_VOLTAGE
doc: |
Electric field applied to the sample with respect to
ground / the system, e.g., via biasing.
thickness(NX_FLOAT):
exists: recommended
unit: NX_LENGTH
Expand All @@ -47,7 +45,7 @@ NXmpes_liquid(NXmpes):
unit: NX_ANY
doc: |
Flow rate of the liquid into the chamber, i.e.,
throught the microjet capillary (or in case of a flat jet: both capillaries).
through the microjet capillary (or in case of a flat jet: both capillaries).
Unit should be NX_VOLUME / NX_TIME.
shape(NX_CHAR):
enumeration: ["round", "flat"]
Expand All @@ -64,8 +62,8 @@ NXmpes_liquid(NXmpes):
doc: |
Transformations describing the transformation chain of the liquid jet flow direction
and optionally the flat jet normal. The vector of the major flow direction of the
liquid jet from the injection into the chamber.
Along the cylinder axis for single, cylidrical jets, and parallel to the leaf plane for flatjets.
liquid jet from the point of injection into the chamber.
Along the cylinder axis for single, cylindrical jets, and parallel to the leaf plane for flatjets.
jet_direction(NX_NUMBER):
doc: |
The coordinate system frame of the liquid jet direction.
Expand Down Expand Up @@ -122,7 +120,10 @@ NXmpes_liquid(NXmpes):
solventSOLVENT(NXsample_component):
doc: |
Solvent substance of the liquid jet.
This also accounts for multiple jets if more than one solvent is given.
For flat jets, this group may appear more than once.
If a mixture of solvents is used,
the one with the highest mol fraction should be designated solvent,
and the other(s) solute(s) (see solute group).
description(NX_CHAR):
exists: recommended
name(NX_CHAR):
Expand All @@ -140,7 +141,8 @@ NXmpes_liquid(NXmpes):
exists: optional
doc: |
Whether or not agents for pH adjustment were added to the solution.
In this case, users are encouraged to expand on that in preparation_description.
In this case, users are encouraged to expand on that in preparation_description
or add a corresponding solute group.
mol_fraction(NX_FLOAT):
exists: optional
unit: NX_ANY
Expand All @@ -167,11 +169,4 @@ NXmpes_liquid(NXmpes):
Unit should be 1 / NX_VOLUME
solvent(NX_CHAR):
doc: |
Specifies the parent solvent entry of the solution.
(NXdata):
\@axes(NX_CHAR):
enumeration: ["energy"]
energy(NX_NUMBER):
unit: NX_ENERGY
doc: |
Data containing the energy axis.
Specifies the parent solvent entry of the solution.

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