3.3.1.139. NXreflections

Status:

base class, extends NXobject

Description:

Reflection data from diffraction experiments

Symbols:

n: number of reflections

m: number of experiments

Groups cited:

none

Structure:

@description: (optional) NX_CHAR

Describes the dataset

experiments: (optional) NX_CHAR (Rank: 1, Dimensions: [m])

The experiments from which the reflection data derives

h: (optional) NX_NUMBER (Rank: 1, Dimensions: [n])

The h component of the miller index

@description: (optional) NX_CHAR

Describes the dataset

k: (optional) NX_NUMBER (Rank: 1, Dimensions: [n])

The k component of the miller index

@description: (optional) NX_CHAR

Describes the dataset

l: (optional) NX_NUMBER (Rank: 1, Dimensions: [n])

The l component of the miller index

@description: (optional) NX_CHAR

Describes the dataset

id: (optional) NX_INT (Rank: 1, Dimensions: [n])

The id of the experiment which resulted in the reflection. If the value …

The id of the experiment which resulted in the reflection. If the value is greater than 0, the experiments must link to a multi-experiment NXmx group

@description: (optional) NX_CHAR

Describes the dataset

reflection_id: (optional) NX_INT (Rank: 1, Dimensions: [n])

The id of the reflection. Multiple partials from the same reflection …

The id of the reflection. Multiple partials from the same reflection should all have the same id

@description: (optional) NX_CHAR

Describes the dataset

entering: (optional) NX_BOOLEAN (Rank: 1, Dimensions: [n])

Is the reflection entering or exiting the Ewald sphere

@description: (optional) NX_CHAR

Describes the dataset

det_module: (optional) NX_INT (Rank: 1, Dimensions: [n])

The detector module on which the reflection was recorded

@description: (optional) NX_CHAR

Describes the dataset

flags: (optional) NX_INT (Rank: 1, Dimensions: [n])

Status flags describing the reflection. …

Status flags describing the reflection.

This is a bit mask. The bits in the mask follow the convention used by DIALS, and have the following names:

bit

name

0

predicted

1

observed

2

indexed

3

used_in_refinement

4

strong

5

reference_spot

6

dont_integrate

7

integrated_sum

8

integrated_prf

9

integrated

10

overloaded

11

overlapped

12

overlapped_fg

13

in_powder_ring

14

foreground_includes_bad_pixels

15

background_includes_bad_pixels

16

includes_bad_pixels

17

bad_shoebox

18

bad_spot

19

used_in_modelling

20

centroid_outlier

21

failed_during_background_modelling

22

failed_during_summation

23

failed_during_profile_fitting

24

bad_reference

@description: (optional) NX_CHAR

Describes the dataset

d: (optional) NX_FLOAT (Rank: 1, Dimensions: [n])

The resolution of the reflection

@description: (optional) NX_CHAR

Describes the dataset

partiality: (optional) NX_FLOAT (Rank: 1, Dimensions: [n])

The partiality of the reflection. …

The partiality of the reflection. Dividing by this number will inflate the measured intensity to the full reflection equivalent.

@description: (optional) NX_CHAR

Describes the dataset

predicted_frame: (optional) NX_FLOAT (Rank: 1, Dimensions: [n]) {units=NX_UNITLESS}

The frame on which the bragg peak of the reflection is predicted

@description: (optional) NX_CHAR

Describes the dataset

predicted_x: (optional) NX_FLOAT (Rank: 1, Dimensions: [n]) {units=NX_LENGTH}

The x position at which the bragg peak of the reflection …

The x position at which the bragg peak of the reflection is predicted

@description: (optional) NX_CHAR

Describes the dataset

predicted_y: (optional) NX_FLOAT (Rank: 1, Dimensions: [n]) {units=NX_LENGTH}

The y position at which the bragg peak of the reflection …

The y position at which the bragg peak of the reflection is predicted

@description: (optional) NX_CHAR

Describes the dataset

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

The phi angle at which the bragg peak of the reflection is predicted

@description: (optional) NX_CHAR

Describes the dataset

predicted_px_x: (optional) NX_FLOAT (Rank: 1, Dimensions: [n]) {units=NX_UNITLESS}

The x pixel position at which the bragg peak of the reflection is …

The x pixel position at which the bragg peak of the reflection is predicted

@description: (optional) NX_CHAR

Describes the dataset

predicted_px_y: (optional) NX_FLOAT (Rank: 1, Dimensions: [n]) {units=NX_UNITLESS}

The y pixel position at which the bragg peak of the reflection is …

The y pixel position at which the bragg peak of the reflection is predicted

@description: (optional) NX_CHAR

Describes the dataset

observed_frame: (optional) NX_FLOAT (Rank: 1, Dimensions: [n]) {units=NX_UNITLESS}

The estimate of the frame at which the central impact of the …

The estimate of the frame at which the central impact of the reflection was recorded

@description: (optional) NX_CHAR

Describes the dataset

observed_frame_var: (optional) NX_FLOAT (Rank: 1, Dimensions: [n]) {units=NX_UNITLESS}

The variance on the estimate of the frame at which the central …

The variance on the estimate of the frame at which the central impact of the reflection was recorded

@description: (optional) NX_CHAR

Describes the dataset

observed_frame_errors: (optional) NX_FLOAT (Rank: 1, Dimensions: [n]) {units=NX_UNITLESS}

The standard deviation of the estimate of the frame at which the central …

The standard deviation of the estimate of the frame at which the central impact of the reflection was recorded

@description: (optional) NX_CHAR

Describes the dataset

observed_px_x: (optional) NX_FLOAT (Rank: 1, Dimensions: [n]) {units=NX_UNITLESS}

The estimate of the pixel x position at which the central impact of …

The estimate of the pixel x position at which the central impact of the reflection was recorded

@description: (optional) NX_CHAR

Describes the dataset

observed_px_x_var: (optional) NX_FLOAT (Rank: 1, Dimensions: [n]) {units=NX_UNITLESS}

The variance on the estimate of the pixel x position at which the …

The variance on the estimate of the pixel x position at which the central impact of the reflection was recorded

@description: (optional) NX_CHAR

Describes the dataset

observed_px_x_errors: (optional) NX_FLOAT (Rank: 1, Dimensions: [n]) {units=NX_UNITLESS}

The standard deviation of the estimate of the pixel x position at which the …

The standard deviation of the estimate of the pixel x position at which the central impact of the reflection was recorded

@description: (optional) NX_CHAR

Describes the dataset

observed_px_y: (optional) NX_FLOAT (Rank: 1, Dimensions: [n]) {units=NX_UNITLESS}

The estimate of the pixel y position at which the central impact of …

The estimate of the pixel y position at which the central impact of the reflection was recorded

@description: (optional) NX_CHAR

Describes the dataset

observed_px_y_var: (optional) NX_FLOAT (Rank: 1, Dimensions: [n]) {units=NX_UNITLESS}

The variance on the estimate of the pixel y position at which the …

The variance on the estimate of the pixel y position at which the central impact of the reflection was recorded

@description: (optional) NX_CHAR

Describes the dataset

observed_px_y_errors: (optional) NX_FLOAT (Rank: 1, Dimensions: [n]) {units=NX_UNITLESS}

The standard deviation of the estimate of the pixel y position at which the …

The standard deviation of the estimate of the pixel y position at which the central impact of the reflection was recorded

@description: (optional) NX_CHAR

Describes the dataset

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

The estimate of the phi angle at which the central impact of the …

The estimate of the phi angle at which the central impact of the reflection was recorded

@description: (optional) NX_CHAR

Describes the dataset

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

The variance on the estimate of the phi angle at which the central …

The variance on the estimate of the phi angle at which the central impact of the reflection was recorded

@description: (optional) NX_CHAR

Describes the dataset

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

The standard deviation of the estimate of the phi angle at which the central …

The standard deviation of the estimate of the phi angle at which the central impact of the reflection was recorded

@description: (optional) NX_CHAR

Describes the dataset

observed_x: (optional) NX_FLOAT (Rank: 1, Dimensions: [n]) {units=NX_LENGTH}

The estimate of the x position at which the central …

The estimate of the x position at which the central impact of the reflection was recorded

@description: (optional) NX_CHAR

Describes the dataset

observed_x_var: (optional) NX_FLOAT (Rank: 1, Dimensions: [n]) {units=NX_LENGTH}

The variance on the estimate of the x position at which …

The variance on the estimate of the x position at which the central impact of the reflection was recorded

@description: (optional) NX_CHAR

Describes the dataset

observed_x_errors: (optional) NX_FLOAT (Rank: 1, Dimensions: [n]) {units=NX_LENGTH}

The standard deviation of the estimate of the x position at which …

The standard deviation of the estimate of the x position at which the central impact of the reflection was recorded

@description: (optional) NX_CHAR

Describes the dataset

observed_y: (optional) NX_FLOAT (Rank: 1, Dimensions: [n]) {units=NX_LENGTH}

The estimate of the y position at which the central …

The estimate of the y position at which the central impact of the reflection was recorded

@description: (optional) NX_CHAR

Describes the dataset

observed_y_var: (optional) NX_FLOAT (Rank: 1, Dimensions: [n]) {units=NX_LENGTH}

The variance on the estimate of the y position at which …

The variance on the estimate of the y position at which the central impact of the reflection was recorded

@description: (optional) NX_CHAR

Describes the dataset

observed_y_errors: (optional) NX_FLOAT (Rank: 1, Dimensions: [n]) {units=NX_LENGTH}

The standard deviation of the estimate of the y position at which …

The standard deviation of the estimate of the y position at which the central impact of the reflection was recorded

@description: (optional) NX_CHAR

Describes the dataset

bounding_box: (optional) NX_INT (Rank: 2, Dimensions: [n, 6]) {units=NX_UNITLESS}

The bounding box around the recorded recorded reflection. …

The bounding box around the recorded recorded reflection. Should be an integer array of length 6, where the 6 values are pixel positions or frame numbers, as follows:

index

meaning

0

The lower pixel x position

1

The upper pixel x position

2

The lower pixel y position

3

The upper pixel y position

4

The lower frame number

5

The upper frame number

@description: (optional) NX_CHAR

Describes the dataset

background_mean: (optional) NX_FLOAT (Rank: 1, Dimensions: [n])

The mean background under the reflection peak

@description: (optional) NX_CHAR

Describes the dataset

int_prf: (optional) NX_FLOAT (Rank: 1, Dimensions: [n])

The estimate of the reflection intensity by profile fitting

@description: (optional) NX_CHAR

Describes the dataset

int_prf_var: (optional) NX_FLOAT (Rank: 1, Dimensions: [n])

The variance on the estimate of the reflection intensity by profile …

The variance on the estimate of the reflection intensity by profile fitting

@description: (optional) NX_CHAR

Describes the dataset

int_prf_errors: (optional) NX_FLOAT (Rank: 1, Dimensions: [n])

The standard deviation of the estimate of the reflection intensity by profile …

The standard deviation of the estimate of the reflection intensity by profile fitting

@description: (optional) NX_CHAR

Describes the dataset

int_sum: (optional) NX_FLOAT (Rank: 1, Dimensions: [n])

The estimate of the reflection intensity by summation

@description: (optional) NX_CHAR

Describes the dataset

int_sum_var: (optional) NX_FLOAT (Rank: 1, Dimensions: [n])

The variance on the estimate of the reflection intensity by …

The variance on the estimate of the reflection intensity by summation

@description: (optional) NX_CHAR

Describes the dataset

int_sum_errors: (optional) NX_FLOAT (Rank: 1, Dimensions: [n])

The standard deviation of the estimate of the reflection intensity by …

The standard deviation of the estimate of the reflection intensity by summation

@description: (optional) NX_CHAR

Describes the dataset

lp: (optional) NX_FLOAT (Rank: 1, Dimensions: [n])

The LP correction factor to be applied to the reflection intensities

@description: (optional) NX_CHAR

Describes the dataset

prf_cc: (optional) NX_FLOAT (Rank: 1, Dimensions: [n])

The correlation of the reflection profile with the reference profile …

The correlation of the reflection profile with the reference profile used in profile fitting

@description: (optional) NX_CHAR

Describes the dataset

overlaps: (optional) NX_INT

An adjacency list specifying the spatial overlaps of reflections. The …

An adjacency list specifying the spatial overlaps of reflections. The adjacency list is specified using an array data type where the elements of the array are the indices of the adjacent overlapped reflection

@description: (optional) NX_CHAR

Describes the dataset

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

Polar angle of reflection centroid, following the NeXus simple (spherical polar) coordinate system

@description: (optional) NX_CHAR

Describes the dataset

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

Azimuthal angle of reflection centroid, following the NeXus simple (spherical polar) coordinate system

Hypertext Anchors

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

NXDL Source:

https://github.com/nexusformat/definitions/blob/main/base_classes/NXreflections.nxdl.xml