2.3.3.1.46. NXsample¶
Status:
base class, extends NXobject
Description:
Any information on the sample. ...
Any information on the sample.
This could include scanned variables that are associated with one of the data dimensions, e.g. the magnetic field, or logged data, e.g. monitored temperature vs elapsed time.
Symbols:
symbolic array lengths to be coordinated between various fields
n_comp: number of compositions
n_Temp: number of temperatures
n_eField: number of values in applied electric field
n_mField: number of values in applied magnetic field
n_pField: number of values in applied pressure field
n_sField: number of values in applied stress field
- Groups cited:
NXbeam, NXdata, NXenvironment, NXfabrication, NXgeometry, NXhistory, NXidentifier, NXlog, NXoff_geometry, NXpositioner, NXsample_component_set, NXsample_component, NXsingle_crystal, NXsubstance, NXtransformations
Structure:
@default: (optional) NX_CHAR
Declares which child group contains a path leading ...
Declares which child group contains a path leading to a 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.
name: (optional) NX_CHAR
Descriptive name of sample
sample_id: (optional) NX_CHAR
Identification number or signatures of the sample used.
chemical_formula: (optional) NX_CHAR
The chemical formula specified using CIF conventions. ...
The chemical formula specified using CIF conventions. Abbreviated version of CIF standard:
Only recognized element symbols may be used.
Each element symbol is followed by a ‘count’ number. A count of ‘1’ may be omitted.
A space or parenthesis must separate each cluster of (element symbol + count).
Where a group of elements is enclosed in parentheses, the multiplier for the group must follow the closing parentheses. That is, all element and group multipliers are assumed to be printed as subscripted numbers.
Unless the elements are ordered in a manner that corresponds to their chemical structure, the order of the elements within any group or moiety depends on whether or not carbon is present.
If carbon is present, the order should be:
C, then H, then the other elements in alphabetical order of their symbol.
If carbon is not present, the elements are listed purely in alphabetic order of their symbol.
This is the Hill system used by Chemical Abstracts.
temperature: (optional) NX_FLOAT (Rank: anyRank, Dimensions: [n_Temp]) {units=NX_TEMPERATURE}
Sample temperature. This could be a scanned variable
electric_field: (optional) NX_FLOAT (Rank: 1, Dimensions: [n_eField]) {units=NX_VOLTAGE}
magnetic_field: (optional) NX_FLOAT (Rank: 1, Dimensions: [n_mField]) {units=NX_ANY}
stress_field: (optional) NX_FLOAT (Rank: 1, Dimensions: [n_sField]) {units=NX_ANY}
pressure: (optional) NX_FLOAT (Rank: 1, Dimensions: [n_pField]) {units=NX_PRESSURE}
Applied pressure
changer_position: (optional) NX_INT {units=NX_UNITLESS}
Sample changer position
unit_cell_abc: (optional) NX_FLOAT (Rank: 1, Dimensions: [3]) {units=NX_LENGTH}
Crystallography unit cell parameters a, b, and c
unit_cell_alphabetagamma: (optional) NX_FLOAT (Rank: 1, Dimensions: [3]) {units=NX_ANGLE}
Crystallography unit cell parameters alpha, beta, and gamma
unit_cell: (optional) NX_FLOAT (Rank: 2, Dimensions: [n_comp, 6]) {units=NX_LENGTH}
Unit cell parameters (lengths and angles)
unit_cell_volume: (optional) NX_FLOAT (Rank: 1, Dimensions: [n_comp]) {units=NX_VOLUME}
Volume of the unit cell
sample_orientation: (optional) NX_FLOAT (Rank: 1, Dimensions: [3]) {units=NX_ANGLE}
This will follow the Busing-Levy convention: ...
This will follow the Busing-Levy convention: W. R. Busing and H. A. Levy (1967). Acta Cryst. 22, 457-464
orientation_matrix: (optional) NX_FLOAT (Rank: 3, Dimensions: [n_comp, 3, 3])
Orientation matrix of single crystal sample using Busing-Levy convention: ...
Orientation matrix of single crystal sample using Busing-Levy convention: W. R. Busing and H. A. Levy (1967). Acta Cryst. 22, 457-464
ub_matrix: (optional) NX_FLOAT (Rank: 3, Dimensions: [n_comp, 3, 3])
UB matrix of single crystal sample using Busing-Levy convention: ...
UB matrix of single crystal sample using Busing-Levy convention: W. R. Busing and H. A. Levy (1967). Acta Cryst. 22, 457-464. This is the multiplication of the orientation_matrix, given above, with the \(B\) matrix which can be derived from the lattice constants.
mass: (optional) NX_FLOAT (Rank: 1, Dimensions: [n_comp]) {units=NX_MASS}
Mass of sample
density: (optional) NX_FLOAT (Rank: 1, Dimensions: [n_comp]) {units=NX_MASS_DENSITY}
Density of sample
relative_molecular_mass: (optional) NX_FLOAT (Rank: 1, Dimensions: [n_comp]) {units=NX_MASS}
Relative Molecular Mass of sample
type: (optional) NX_CHAR
Any of these values:
sample
sample+can
can
sample+buffer
buffer
calibration sample
normalisation sample
simulated data
none
sample environment
situation: (optional) NX_CHAR
The atmosphere will be one of the components, which is where ...
The atmosphere will be one of the components, which is where its details will be stored; the relevant components will be indicated by the entry in the sample_component member.
Any of these values:
air
vacuum
inert atmosphere
oxidising atmosphere
reducing atmosphere
sealed can
other
description: (optional) NX_CHAR
Description of the sample
preparation_date: (optional) NX_DATE_TIME
Date of preparation of the sample
component: (optional) NX_CHAR (Rank: 1, Dimensions: [n_comp])
Details of the component of the sample and/or can
sample_component: (optional) NX_CHAR (Rank: 1, Dimensions: [n_comp])
Type of component ...
Type of component
Any of these values:
sample
|can
|atmosphere
|kit
concentration: (optional) NX_FLOAT (Rank: 1, Dimensions: [n_comp]) {units=NX_MASS_DENSITY}
Concentration of each component
volume_fraction: (optional) NX_FLOAT (Rank: 1, Dimensions: [n_comp])
Volume fraction of each component
scattering_length_density: (optional) NX_FLOAT (Rank: 1, Dimensions: [n_comp]) {units=NX_SCATTERING_LENGTH_DENSITY}
Scattering length density of each component
unit_cell_class: (optional) NX_CHAR
In case it is all we know and we want to record/document it ...
In case it is all we know and we want to record/document it
Any of these values:
triclinic
monoclinic
orthorhombic
tetragonal
rhombohedral
hexagonal
cubic
space_group: (optional) NX_CHAR (Rank: 1, Dimensions: [n_comp])
Crystallographic space group
point_group: (optional) NX_CHAR (Rank: 1, Dimensions: [n_comp])
Crystallographic point group, deprecated if space_group present
path_length: (optional) NX_FLOAT {units=NX_LENGTH}
Path length through sample/can for simple case when ...
Path length through sample/can for simple case when it does not vary with scattering direction
path_length_window: (optional) NX_FLOAT {units=NX_LENGTH}
Thickness of a beam entry/exit window on the can (mm) ...
Thickness of a beam entry/exit window on the can (mm) - assumed same for entry and exit
thickness: (optional) NX_FLOAT {units=NX_LENGTH}
sample thickness
external_DAC: (optional) NX_FLOAT {units=NX_ANY}
value sent to user’s sample setup
short_title: (optional) NX_CHAR
20 character fixed length sample description for legends
rotation_angle: (optional) NX_FLOAT {units=NX_ANGLE}
Optional rotation angle for the case when the powder diagram has ...
Optional rotation angle for the case when the powder diagram has been obtained through an omega-2theta scan like from a traditional single detector powder diffractometer. Note, it is recommended to use NXtransformations instead.
x_translation: (optional) NX_FLOAT {units=NX_LENGTH}
Translation of the sample along the X-direction of the laboratory coordinate s ...
Translation of the sample along the X-direction of the laboratory coordinate system Note, it is recommended to use NXtransformations instead.
distance: (optional) NX_FLOAT {units=NX_LENGTH}
Translation of the sample along the Z-direction of the laboratory coordinate s ...
Translation of the sample along the Z-direction of the laboratory coordinate system. Note, it is recommended to use NXtransformations instead.
physical_form: (optional) NX_CHAR
Physical form of the sample material. ...
Physical form of the sample material. Examples include single crystal, foil, pellet, powder, thin film, disc, foam, gas, liquid, amorphous.
depends_on: (optional) NX_CHAR
geometry: (optional) NXgeometry
DEPRECATED: Use the field depends_on and NXtransformations to position the sample and NXoff_geometry to describe its shape instead
The position and orientation of the center of mass of the sample
BEAM: (optional) NXbeam
Details of beam incident on sample - used to calculate sample/beam interaction ...
Details of beam incident on sample - used to calculate sample/beam interaction point
SAMPLE_COMPONENT: (optional) NXsample_component
One group per sample component ...
One group per sample component This is the perferred way of recording per component information over the n_comp arrays
transmission: (optional) NXdata
As a function of Wavelength
temperature_log: (optional) NXlog
DEPRECATED: use
temperature
, see: https://github.com/nexusformat/definitions/issues/816temperature_log.value is a link to e.g. temperature_env.sensor1.value_log.value
temperature_env: (optional) NXenvironment
Additional sample temperature environment information
magnetic_field: (optional) NXlog
magnetic_field.value is a link to e.g. magnetic_field_env.sensor1.value
magnetic_field_log: (optional) NXlog
DEPRECATED: use
magnetic_field
, see: https://github.com/nexusformat/definitions/issues/816magnetic_field_log.value is a link to e.g. ...
magnetic_field_log.value is a link to e.g. magnetic_field_env.sensor1.value_log.value
magnetic_field_env: (optional) NXenvironment
Additional sample magnetic environment information
external_ADC: (optional) NXlog
logged value (or logic state) read from user’s setup
POSITIONER: (optional) NXpositioner
Any positioner (motor, PZT, …) used to locate the sample
OFF_GEOMETRY: (optional) NXoff_geometry
This group describes the shape of the sample
SINGLE_CRYSTAL: (optional) NXsingle_crystal
If the sample is a single crystal, add description of single crystal and unit ...
If the sample is a single crystal, add description of single crystal and unit cell.
SAMPLE_COMPONENT_SET: (optional) NXsample_component_set
Set of sample components and their configuration. ...
Set of sample components and their configuration. There can only be one NXsample_component_set in one component.
SUBSTANCE: (optional) NXsubstance
If the sample is made from a pure substance and cannot be further divided usin ...
If the sample is made from a pure substance and cannot be further divided using NXsample_component.
FABRICATION: (optional) NXfabrication
Details about the sample vendor (company or research group)
identifier: (optional) NXidentifier
An (ideally) globally unique identifier for the sample.
ENVIRONMENT: (optional) NXenvironment
Any environmental or external stimuli/measurements. ...
Any environmental or external stimuli/measurements. These can include, among others: applied pressure, surrounding gas phase and gas pressure, external electric/magnetic/mechanical fields, temperature, …
history: (optional) NXhistory
A set of physical processes that occurred to the sample prior/during experiment.
TRANSFORMATIONS: (optional) NXtransformations
This is the group recommended for holding the chain of translation ...
This is the group recommended for holding the chain of translation and rotation operations necessary to position the component within the instrument. The dependency chain may however traverse similar groups in other component groups.
Hypertext Anchors¶
List of hypertext anchors for all groups, fields, attributes, and links defined in this class.