2.3.3.3.222. NXxrd_pan

Status:

application definition, extends NXxrd

Description:

NXxrd_pan is a specialisation of NXxrd with extra properties ...

NXxrd_pan is a specialisation of NXxrd with extra properties for the PANalytical XRD data format.

Symbols:

No symbol table

Groups cited:

NXdata, NXdetector, NXentry, NXinstrument, NXobject, NXsample, NXsource

Structure:

ENTRY: (required) NXentry ⤆

data_file: (optional) NX_CHAR

Name of the data file.

measurement_type: (required) NX_CHAR

Type of measurement.

definition: (required) NX_CHAR ⤆

Official NeXus NXDL schema to which this file conforms. ...

Official NeXus NXDL schema to which this file conforms.

Obligatory value: NXxrd_pan

method: (required) NX_CHAR

Method used to collect the data ...

Method used to collect the data default=’X-Ray Diffraction (XRD)’

Obligatory value: X-Ray Diffraction (XRD)

INSTRUMENT: (required) NXinstrument ⤆

SOURCE: (required) NXsource ⤆

xray_tube_material: (required) NX_CHAR

Type of the X-ray tube. ...

Type of the X-ray tube.

Any of these values: Cu | Cr | Mo | Fe | Ag | In | Ga

xray_tube_current: (required) NX_FLOAT {units=NX_CURRENT}

Current of the X-ray tube.

xray_tube_voltage: (required) NX_FLOAT {units=NX_VOLTAGE}

Voltage of the X-ray tube.

k_alpha_one: (required) NX_FLOAT {units=NX_WAVELENGTH}

Wavelength of the Ku03b1 1 line.

@units: (required) NX_CHAR

Obligatory value: angstrom

k_alpha_two: (required) NX_FLOAT {units=NX_WAVELENGTH}

Wavelength of the Ku03b1 2 line.

@units: (required) NX_CHAR

Obligatory value: angstrom

ratio_k_alphatwo_k_alphaone: (required) NX_FLOAT {units=NX_DIMENSIONLESS}

Ku03b1 2/Ku03b1 1 intensity ratio.

kbeta: (optional) NX_FLOAT {units=NX_WAVELENGTH}

Wavelength of the Ku00df line.

@units: (required) NX_CHAR

Obligatory value: angstrom

source_peak_wavelength: (optional) NX_FLOAT {units=NX_WAVELENGTH}

Wavelength of the X-ray source. Used to convert from 2-theta to Q.

DETECTOR: (required) NXdetector ⤆

scan_axis: (required) NX_CHAR

Axis scanned.

scan_mode: (required) NX_CHAR

Mode of scan.

integration_time: (optional) NX_FLOAT {units=NX_TIME}

Integration time per channel.

experiment_config: (optional) NXobject

Collect user inputs e.g. name or path of the input file.

beam_attenuation_factors: (required) NX_CHAR

Beam attenuation factors over the path.

goniometer_x: (optional) NX_FLOAT {units=NX_LENGTH}

Goniometer position X.

goniometer_y: (optional) NX_FLOAT {units=NX_LENGTH}

Goniometer position Y.

goniometer_z: (optional) NX_FLOAT {units=NX_LENGTH}

Goniometer position Z

count_time: (required) NX_FLOAT {units=NX_TIME}

Total time of count.

two_theta: (required) NXobject

start: (required) NX_FLOAT {units=NX_ANGLE}

Starting value of the diffraction angle.

end: (required) NX_FLOAT {units=NX_ANGLE}

Ending value of the diffraction angle.

step: (required) NX_FLOAT {units=NX_ANGLE}

Minimum step size in-between two diffraction angles.

omega: (required) NXobject

start: (required) NX_FLOAT {units=NX_ANGLE}

Starting value of the incident angle.

end: (required) NX_FLOAT {units=NX_ANGLE}

Ending value of the incident angle.

step: (required) NX_FLOAT {units=NX_ANGLE}

Minimum step size in the between two incident angles.

experiment_result: (required) NXdata ⤆

All experiment results data such as scattering angle (2theta), ...

All experiment results data such as scattering angle (2theta), intensity, incident angle, scattering vector, etc will be stored here.

intensity: (required) NX_FLOAT (Rank: 1, Dimensions: [nDet])

Number of scattered electrons per unit time.

two_theta: (required) NX_FLOAT (Rank: 1, Dimensions: [nDet]) {units=NX_ANGLE}

Two-theta (scattering angle) of the diffractogram.

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

Incident angle of the diffractogram.

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

The phi range of the diffractogram.

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

The chi range of the diffractogram

q_parallel: (optional) NX_FLOAT {units=NX_ANY}

The scattering vector component, which is parallel to the sample surface.

q_perpendicular: (optional) NX_FLOAT {units=NX_ANY}

The scattering vector component, which is perpendicular to the sample surface.

q_norm: (optional) NX_FLOAT {units=NX_ANY}

The norm value of the scattering vector, q. The scattering vector is defin ...

The norm value of the scattering vector, q. The scattering vector is defined as a difference between the incident and scattered wave vectors. For details: https://en.wikipedia.org/wiki/Powder_diffraction and https://theory.labster.com/scattering-vector/

q_data: (optional) NXdata ⤆

The desired view for scattering vectors.

q: (optional) NX_FLOAT

This concept corresponds to the norm value of the scattering vector(q). ...

This concept corresponds to the norm value of the scattering vector(q). The concept is the same as ‘q_norm’ of ‘experiment_result’ and should be linked to /entry[ENTRY]/experiment_result/q_norm.

intensity: (optional) NX_FLOAT

Number of scattered electrons per unit time at each scattering vector (q) ...

Number of scattered electrons per unit time at each scattering vector (q) value. The concept is the same as the ‘intensity’ of experiment_result and should be linked to /entry[ENTRY]/experiment_result/intensity.

q_parallel: (optional) NX_FLOAT

The scattering vector (q) component, which is parallel to the sample surfa ...

The scattering vector (q) component, which is parallel to the sample surface. This component is used in the Reciprocal Space Mapping (RSM) technique of X-ray diffraction method.

The concept is the same as ‘q_parallel’ of experiment_result, and should be linked to /entry[ENTRY]/experiment_result/q_parallel.

q_perpendicular: (optional) NX_FLOAT

The scattering vector component, which is perpendicular to the sample surf ...

The scattering vector component, which is perpendicular to the sample surface.

The concept is the same as ‘q_perpendicular’ of experiment_result, and should be linked to /entry[ENTRY]/experiment_result/q_perpendicular.

SAMPLE: (optional) NXsample ⤆

Description on sample.

sample_mode: (required) NX_CHAR

Mode of sample.

sample_id: (required) NX_CHAR ⤆

Id of sample.

sample_name: (required) NX_CHAR

Usually in xrd sample are being analysed, but sample might be identified b ...

Usually in xrd sample are being analysed, but sample might be identified by assumed name or given name.

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/contributed_definitions/NXxrd_pan.nxdl.xml