3.3.2.9. NXmx¶

Status:

application definition, extends NXobject, version 1.5

Description:

functional application definition for macromolecular crystallography

Symbols:

These symbols will be used below to coordinate datasets with the same shape. Most MX x-ray detectors will produce two-dimensional images. Some will produce three-dimensional images, using one of the indices to select a detector element.

dataRank: rank of the data field

np: number of scan points

i: number of detector pixels in the slowest direction

j: number of detector pixels in the second slowest direction

k: number of detector pixels in the third slowest direction

Groups cited:: NXattenuator, NXbeam, NXcollection, NXdata, NXdetector_group, NXdetector_module, NXdetector, NXentry, NXinstrument, NXsample, NXtransformations

Structure:

(entry): NXentry
title: (optional) NX_CHAR

start_time: (optional) NX_DATE_TIME

end_time: (optional) NX_DATE_TIME

definition: NX_CHAR

NeXus NXDL schema to which this file conforms

Obligatory value: NXmx

(instrument): NXinstrument
(attenuator): (optional) NXattenuator

attenuator_transmission: (optional) NX_NUMBER {units=NX_UNITLESS}

(detector_group): (optional) NXdetector_group
Optional logical grouping of detector elements.

Each detector element is represented as an NXdetector group with its own detector data array. Each detector data array may be further decomposed into array sections by use of NXdetector_module groups. The names are given in the group names field.

The groups are defined hierarchically, with names given in the group_names field, unique identifiing indices given in the field group_index, and the level in the hierarchy given in the group_parent field. For example if an x-ray detector, DET, consists of four elements in a rectangular array:
DTL    DTR
DLL    DLR
We could have:
group_names: ["DET", "DTL", "DTR", "DLL", "DLR"]
group_index: [1, 2, 3, 4, 5]
group_parent:  [-1, 1, 1, 1, 1]
group_names[ref(group_index)]: NX_CHAR

An array of the names of the detector elements or hierarchical groupings of detector elements.

Specified in the base classes as comma separated list of names, but new code should use an array of names as quoted strings.

group_index[i]: NX_INT

An array of unique indices for detector elements or groupings of detector elements.

Each element is a unique ID for the corresponding group named in the field group_names. The IDs are positive integers starting with 1.

group_parent[ref(group_index)]: NX_INT

An array of the hierarchical levels of the parents of detector elements or groupings of detector elements.

A top-level element or grouping has parent level -1
(detector): NXdetector

Normally the detector group will have the name detector. However, in the case of multiple detector elements, each element needs a uniquely named NXdetector group.

depends_on: NX_CHAR

data[np, i, j, k]: NX_NUMBER

For a dimension-2 detector, the rank of the data array will be 3. For a dimension-3 detector, the rank of the data array will be 4. This allows for the introduction of the frame number as the first index.

description: (optional) NX_CHAR

name/manufacturer/model/etc. information

time_per_channel: (optional) NX_CHAR {units=NX_TIME}

todo: define more clearly

distance: (optional) NX_FLOAT {units=NX_LENGTH}

Distance from the sample to the beam center. This value is a guidance only, the proper geometry can be found following the depends_on axis chain.

dead_time: (optional) NX_FLOAT {units=NX_TIME}

Detector dead time

count_time: (optional) NX_NUMBER {units=NX_TIME}

Elapsed actual counting time

beam_center_x: (optional) NX_FLOAT {units=NX_LENGTH}

This is the x position where the direct beam would hit the detector. This is a length, not a pixel position, and can be outside of the actual detector.

beam_center_y: (optional) NX_FLOAT {units=NX_LENGTH}

This is the y position where the direct beam would hit the detector. This is a length, not a pixel position, and can be outside of the actual detector.

angular_calibration_applied: (optional) NX_BOOLEAN

True when the angular calibration has been applied in the electronics, false otherwise.

angular_calibration[i, j, k]: (optional) NX_FLOAT

Angular calibration data.

flatfield_applied: (optional) NX_BOOLEAN

True when the flat field correction has been applied in the electronics, false otherwise.

flatfield[i, j, k]: (optional) NX_FLOAT

Flat field correction data.

flatfield_error[i, j, k]: (optional) NX_FLOAT

Errors of the flat field correction data.

pixel_mask_applied: (optional) NX_BOOLEAN

True when the pixel mask correction has been applied in the electronics, false otherwise.

pixel_mask[i, j, k]: (optional) NX_INT

The 32-bit pixel mask for the detector. Contains a bit field for each pixel to signal dead, blind or high or otherwise unwanted or undesirable pixels. They have the following meaning:

bit 0: gap (pixel with no sensor)

bit 1: dead

bit 2: under responding

bit 3: over responding

bit 4: noisy

bit 5: -undefined-

bit 6: pixel is part of a cluster of problematic pixels (bit set in addition to others)

bit 7: -undefined-

bit 8: user defined mask (e.g. around beamstop)

bits 9-30: -undefined-

bit 31: virtual pixel (corner pixel with interpolated value)

Normal data analysis software would not take pixels into account when a bit in (mask & 0x0000FFFF) is set. Tag bit in the upper two bytes would indicate special pixel properties that normally would not be a sole reason to reject the intensity value (unless lower bits are set.

If the full bit depths is not required, providing a mask with fewer bits is permissible.

countrate_correction_applied: (optional) NX_BOOLEAN

True when a count-rate correction has already been applied in the data recorded here, false otherwise.

bit_depth_readout: (optional) NX_INT

How many bits the electronics record per pixel.

detector_readout_time: (optional) NX_FLOAT {units=NX_TIME}

Time it takes to read the detector (typically milliseconds). This is important to know for time resolved experiments.

frame_time: (optional) NX_FLOAT {units=NX_TIME}

This is time for each frame. This is exposure_time + readout time.

gain_setting: (optional) NX_CHAR

The gain setting of the detector. This influences background.

saturation_value: (optional) NX_INT

The value at which the detector goes into saturation. Data above this value is known to be invalid.

sensor_material: (optional) NX_CHAR

At times, radiation is not directly sensed by the detector. Rather, the detector might sense the output from some converter like a scintillator. This is the name of this converter material.

sensor_thickness: (optional) NX_FLOAT {units=NX_LENGTH}

At times, radiation is not directly sensed by the detector. Rather, the detector might sense the output from some converter like a scintillator. This is the thickness of this converter material.

threshold_energy: (optional) NX_FLOAT {units=NX_ENERGY}

Single photon counter detectors can be adjusted for a certain energy range in which they work optimally. This is the energy setting for this.

type: (optional) NX_CHAR

Description of type such as scintillator, ccd, pixel, image plate, CMOS, ...

(transformations): (optional) NXtransformations

Suggested location for axes (transformations) to do with the detector

(collection): (optional) NXcollection

Suggested container for detailed non-standard detector information like corrections applied automatically or performance settings.

(detector_module): NXdetector_module

Many detectors consist of multiple smaller modules that are operated in sync and store their data in a common dataset. To allow consistent parsing of the experimental geometry, this application definiton requires all detectors to define a detector module, even if there is only one.

This group specifies the hyperslab of data in the data array associated with the detector that contains the data for this module. If the module is associated with a full data array, rather than with a hyperslab within a larger array, then a single module should be defined, spanning the entire array.

data_origin: NX_INT

A dimension-2 or dimension-3 field which gives the indices of the origin of the hyperslab of data for this module in the main area detector image in the parent NXdetector module.

The data_origin is 0-based.

The frame number dimension (np) is omitted. The order of indices is i, j or i, j, k, i.e. slow to fast.

data_size: NX_INT

Two or three values for the size of the module in pixels in each direction.

data_stride: (optional) NX_INT

Two or three values for the stride of the module in pixels in each direction. By default the stride is [1,1] or [1,1,1], and this is the most likely case. This optional field is included for completeness.

module_offset: NX_NUMBER {units=NX_LENGTH}

Offset of the module in regards to the origin of the detector in an arbitrary direction.

@transformation_type: NX_CHAR

Obligatory value: translation

@vector: NX_CHAR

@offset: NX_CHAR

@depends_on: NX_CHAR

fast_pixel_direction: NX_NUMBER {units=NX_LENGTH}

Values along the direction of fastest varying pixel direction.The direction itself is given through the vector attribute

@transformation_type: NX_CHAR

Obligatory value: translation

@vector: NX_CHAR

@offset: NX_CHAR

@depends_on: NX_CHAR

slow_pixel_direction: NX_NUMBER {units=NX_LENGTH}

Values along the direction of slow varying pixel direction. The direction itself is given through the vector attribute

@transformation_type: NX_CHAR

Obligatory value: translation

@vector: NX_CHAR

@offset: NX_CHAR

@depends_on: NX_CHAR
(sample): NXsample

name: (optional) NX_CHAR

Descriptive name of sample

depends_on: (optional) NX_CHAR

This is a requirement to describe for any scan experiment. The reason it is optional is mainly to accommodate XFEL single shot exposures.

The axis on which the sample position depends may be stored anywhere, but is normally stored in the NXtransformations NXtransformations group within the NXsample group.

temperature: (optional) NX_CHAR {units=NX_TEMPERATURE}

(transformations): (optional) NXtransformations

This is the recommended location for sample goniometer and other related axes.

This is a requirement to describe for any scan experiment. The reason it is optional is mainly to accommodate XFEL single shot exposures.

Use of the depends_on field and the NXtransformations group is strongly recommended. As noted above this should be an absolute requirement to have for any scan experiment.

The reason it is optional is mainly to accommodate XFEL single shot exposures.

(beam): NXbeam

incident_wavelength: (optional) NX_FLOAT {units=NX_WAVELENGTH}

In the case of a monchromatic beam this is the scalar wavelength.

In the case of a polychromatic beam this is an array of the wavelengths with the relative weights in incident_wavelength_weight.

incident_wavelength_weight: (optional) NX_FLOAT

In the case of a polychromatic beam this is an array of the relative weights of the corresponding wavelengths in incident_wavelength.

incident_wavelength_spread: (optional) NX_FLOAT {units=NX_WAVELENGTH}

The wavelength spread FWHM for the corresponding wavelength(s) in incident_wavelength.

flux: (optional) NX_FLOAT {units=NX_FLUX}

flux incident on beam plane area in photons per second per unit area

total_flux: (optional) NX_FLOAT {units=NX_FREQUENCY}

flux incident on beam plane in photons per second

incident_beam_size[]: (optional) NX_FLOAT {units=NX_LENGTH}

Two-element array of FWHM (if Gaussian or Airy function) or diameters (if top hat) or widths (if rectangular) of beam in the order x, y

profile: (optional) NX_CHAR

The beam profile, Gaussian, Airy function, top-hat or rectangular. The profile is given in the plane of incidence of the beam on the sample.

Any of these values: Gaussian | Airy | top-hat | rectangular

incident_polarisation_stokes[np, 4]: (optional) NX_CHAR

incident_wavelength_spectrum: (optional) NXdata

(data): NXdata

NXDL Source:: https://github.com/nexusformat/definitions/blob/master/applications/NXmx.nxdl.xml

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3.3.2.9. NXmx¶