@@ -35,11 +35,10 @@ is approximately perpendicular to the beam. Images are collected on an
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area detector placed in transmission geometry behind the sample. Many
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area detectors consist of a set of chips with small gaps between them,
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so sample rotation scans are often repeated multiple times (typically
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- three) with small detector translations between each one to fill in
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- these gaps. However, it is also possible to accomplish this just by
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- adjusting the orientation of the rotation axis itself. *NXRefine *
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- reduces the data independently for each rotation scan before merging
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- them to create a single 3D data volume.
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+ three) to fill in the missing data, with small detector translations
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+ between each scan and/or changes to the orientation of the rotation
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+ axis. *NXRefine * reduces the data independently for each rotation scan
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+ before merging them to create a single 3D data volume.
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.. figure :: /images/experimental-geometry.png
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:align: center
@@ -187,23 +186,24 @@ from the goniometer center to the detector, at the point where the
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incident beam would intersect, is :math: `l_{sd}`. The incident beam
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wavelength is :math: `\lambda `.
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- In the refinement procedure implemented by *NXRefine *, the orientation
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- matrix, :math: ` \mathcal {U}`, is generated by selecting two Bragg peaks,
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- whose (* h *, * k *, * l *) values are determined using initial estimates of
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- the instrument angles and the sample * d *-spacings. θ, ω, χ, and Φ are
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- initially set to their nominal motor angles, while the position and tilt
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- angles of the detector are estimated using a powder calibrant. It is
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- assumed that the space group and approximate lattice parameters are
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- known in advance, allowing an original estimate of the
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- :math: ` \mathcal {B}` matrix to be derived . Once the two peaks have been
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+ In the refinement procedure implemented by *NXRefine *, it is assumed
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+ that the space group and approximate lattice parameters are known in
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+ advance, allowing an original estimate of the :math: ` \mathcal {B}` matrix
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+ to be derived. The orientation matrix, :math: ` \mathcal {U}`, is then
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+ generated by selecting two Bragg peaks, whose (* h *, * k *, * l *) values are
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+ determined using initial estimates of the instrument angles and the
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+ sample * d *-spacings. θ, ω, χ, and Φ are initially set to their nominal
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+ motor angles, while the position and tilt angles of the detector are
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+ estimated using a powder calibrant . Once the two peaks have been
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selected, they are used to produce an initial estimate of
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:math: `\mathcal {U}`, from which all the other peaks are assigned (*h *,
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*k *, *l *) indices. If these assignments are reasonable, then a large
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number of peaks are used to refine both the instrumental and sample
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parameters in order to minimize discrepancies between the calculated and
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measured peak positions, allowing :math: `\mathcal {U}` to be optimized.
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- If few peaks are assigned with reasonable accuracy by the selection of
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- the initial two peaks, it is necessary to select two different peaks.
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+ If only a few peaks are assigned with reasonable accuracy by the
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+ selection of the initial two peaks, it may be necessary to select two
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+ different peaks.
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The refinement process, along with the tools that *NXRefine * provide to
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facilitate peak assignments, are described in a later section.
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