4.3.1.44. 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
@default: (optional) NX_CHAR
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.
experiments: (optional) NX_CHAR (Rank: 1, Dimensions: [m])
The experiments from which the reflection data derives
h: (optional) NX_NUMBER (Rank: 1, Dimensions: [n])
k: (optional) NX_NUMBER (Rank: 1, Dimensions: [n])
l: (optional) NX_NUMBER (Rank: 1, Dimensions: [n])
id: (optional) NX_INT (Rank: 1, Dimensions: [n])
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 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.
This is a bit mask. The bits in the mask follow the convention used by DIALS, and have the following names:
bit
name
0
predicted1
observed2
indexed3
used_in_refinement4
strong5
reference_spot6
dont_integrate7
integrated_sum8
integrated_prf9
integrated10
overloaded11
overlapped12
overlapped_fg13
in_powder_ring14
foreground_includes_bad_pixels15
background_includes_bad_pixels16
includes_bad_pixels17
bad_shoebox18
bad_spot19
used_in_modelling20
centroid_outlier21
failed_during_background_modelling22
failed_during_summation23
failed_during_profile_fitting24
bad_reference@description: (optional) NX_CHAR
Describes the dataset
d: (optional) NX_FLOAT (Rank: 1, Dimensions: [n])
partiality: (optional) NX_FLOAT (Rank: 1, Dimensions: [n])
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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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. 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 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 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 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 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 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 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.