2.3.3.1.47. NXsample_component

Status:

base class, extends NXobject

Description:

One group like this per component can be recorded For a sample consisting of ...

One group like this per component can be recorded For a sample consisting of multiple components.

Symbols:

symbolic array lengths to be coordinated between various fields

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:

NXdata, NXfabrication, NXhistory, NXsample_component_set, NXsingle_crystal, NXsubstance

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 component

sample_id: (optional) NX_CHAR

Identification number or signatures of the sample component 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.

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_volume: (optional) NX_FLOAT {units=NX_VOLUME}

Volume of the unit cell

sample_orientation: (optional) NX_FLOAT (Rank: 1, Dimensions: [3]) {units=NX_ANGLE}

orientation_matrix: (optional) NX_FLOAT (Rank: 2, Dimensions: [3, 3])

Orientation matrix of single crystal sample component. ...

Orientation matrix of single crystal sample component. This will follow the Busing and Levy convention from Acta.Crysta v22, p457 (1967)

mass: (optional) NX_FLOAT {units=NX_MASS}

Mass of sample component

density: (optional) NX_FLOAT {units=NX_MASS_DENSITY}

Density of sample component

relative_molecular_mass: (optional) NX_FLOAT {units=NX_MASS}

Relative Molecular Mass of sample component

description: (optional) NX_CHAR

Description of the sample component

volume_fraction: (optional) NX_FLOAT

Volume fraction of component

scattering_length_density: (optional) NX_FLOAT {units=NX_SCATTERING_LENGTH_DENSITY}

Scattering length density of 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

Crystallographic space group

point_group: (optional) NX_CHAR

Crystallographic point group, deprecated if space_group present

depends_on: (optional) NX_CHAR

Any NXsample_component depends on the instance of NXsample_component_set, at t ...

Any NXsample_component depends on the instance of NXsample_component_set, at the same level of description granularity where the component is located.

transmission: (optional) NXdata

As a function of Wavelength

SINGLE_CRYSTAL: (optional) NXsingle_crystal

If the component is a single crystal, add description of single crystal and un ...

If the component is a single crystal, add description of single crystal and unit cell.

SAMPLE_COMPONENT_SET: (optional) NXsample_component_set

Set of sub-components and their configuration. ...

Set of sub-components and their configuration. There can only be one NXsample_component_set in one component.

SUBSTANCE: (optional) NXsubstance

If the component is made from a pure substance and cannot be further divided ...

If the component is made from a pure substance and cannot be further divided using NXsample_component.

FABRICATION: (optional) NXfabrication

Details about the sample component vendor (company or research group)

history: (optional) NXhistory

A set of physical processes that occurred to the sample component prior/during ...

A set of physical processes that occurred to the sample component prior/during experiment.

Hypertext Anchors

List of hypertext anchors for all groups, fields, attributes, and links defined in this class.

NXDL Source:

https://github.com/FAIRmat-NFDI/nexus_definitions/tree/fairmat/base_classes/NXsample_component.nxdl.xml