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rayosborn committed Jun 21, 2024
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Expand Up @@ -39,7 +39,7 @@ NeXus files
The scan files are stored using the hierarchical `NeXus format
<http://www.nexusformat.org/>`__, in which the data for each scan are stored in groups, or entries, conforming to the `NXentry` base class. There is one entry for each sample rotation scan, usually labelled `f1`, `f2`, `f3`, *etc.*, although the number of such scans can vary. There is also a top-level entry (called 'entry'), which contains the metadata that is common to all the rotation scans, as well as the results of merging the reduced data from each one.

In the example on the right, most of the items are also groups corresponding to different base classes, that contain either raw data, reduced data, metadata, or information resulting from each component of the workflow. When the NeXus file is loaded into NeXpy, its contents can be inspected in a tree view, such as the one shown here. Here are a few examples.
In the example on the right, most of the items are also groups corresponding to different base classes, that contain either raw data, reduced data, metadata, or information resulting from each component of the workflow. When the NeXus file is loaded into *NeXpy*, its contents can be inspected in a tree view, such as the one shown here. Here are a few examples.

:instrument: This is a group that contains instrumental parameters, such
as the incident wavelength, detector distance, goniometer
Expand All @@ -53,16 +53,37 @@ In the example on the right, most of the items are also groups corresponding to
of the particular rotation scan, so all the sample groups are
linked to the one stored in the 'entry' group.

There are a number of groups that contain the results of some of the analysis.
If the beam supports the import of monitor data from metadata files, there will be one or more groups, called `monitor1`, `monitor2`, *etc*, in the entries for each rotation scan. These contain the beamline monitor values for each frame, which can be used to normalize to changes in the incident flux during the rotation.

.. note:: The import of monitor data is governed by the
:ref:`NXBeamLine` class, or its sub-class customized for a
specific beamline.

There are a number of groups in the entries for each rotation scan that
contain the results of some of the analysis.

:peaks: This group contains the results of all the Bragg peaks
identified by the peak search, such as their pixel coordinates
on the detector, their polar and azimuthal angles, and
intensities. These are used to determine the sample orientation
matrix. The group
matrix, using the 'Refine Lattice' dialog.

:radial_sum: This group contains a sum of all the frames after
azimuthal averaging using the powder calibration to define the beam center. The sum is stored in a NXdata group for
plotting as a function of polar angle. This should be
approximately equivalent to a powder average of the single
crystal data.

:summed_data: This group contains a sum of all the frames in a NXdata
group for plotting as a 2D image, with the pixel numbers
as axes.

:summed_frames: This group contains a one-dimensional array produced by
summing each frame. It is stored in a NXdata group for
plotting against the frame number. In more recent
versions of *NXRefine*, it also contains a partial sum
produced by summing the frames between the specified
Q-limits.

Refine Menu
===========
Expand Down Expand Up @@ -96,7 +117,7 @@ The following parameters are defined.
:Max. Polar Angle: This is the maximum scattering angle that is to be
included in refinments of the orientation matrix.

:analysis_path: This is the path within the experiment directory to the
:HKL Tolerance: This tolerance in path within the experiment directory to the
*NXRefine* sub-directories. In the above example, this
would be ``nxrefine``.

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