2.3.3.1.44. 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 ...
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 ...
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])
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
@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
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