Skip to content

Commit 51b45c7

Browse files
committed
Update introduction
1 parent c046a12 commit 51b45c7

File tree

1 file changed

+16
-16
lines changed

1 file changed

+16
-16
lines changed

docs/source/introduction.rst

Lines changed: 16 additions & 16 deletions
Original file line numberDiff line numberDiff line change
@@ -35,11 +35,10 @@ is approximately perpendicular to the beam. Images are collected on an
3535
area detector placed in transmission geometry behind the sample. Many
3636
area detectors consist of a set of chips with small gaps between them,
3737
so sample rotation scans are often repeated multiple times (typically
38-
three) with small detector translations between each one to fill in
39-
these gaps. However, it is also possible to accomplish this just by
40-
adjusting the orientation of the rotation axis itself. *NXRefine*
41-
reduces the data independently for each rotation scan before merging
42-
them to create a single 3D data volume.
38+
three) to fill in the missing data, with small detector translations
39+
between each scan and/or changes to the orientation of the rotation
40+
axis. *NXRefine* reduces the data independently for each rotation scan
41+
before merging them to create a single 3D data volume.
4342

4443
.. figure:: /images/experimental-geometry.png
4544
:align: center
@@ -187,23 +186,24 @@ from the goniometer center to the detector, at the point where the
187186
incident beam would intersect, is :math:`l_{sd}`. The incident beam
188187
wavelength is :math:`\lambda`.
189188

190-
In the refinement procedure implemented by *NXRefine*, the orientation
191-
matrix, :math:`\mathcal{U}`, is generated by selecting two Bragg peaks,
192-
whose (*h*, *k*, *l*) values are determined using initial estimates of
193-
the instrument angles and the sample *d*-spacings. θ, ω, χ, and Φ are
194-
initially set to their nominal motor angles, while the position and tilt
195-
angles of the detector are estimated using a powder calibrant. It is
196-
assumed that the space group and approximate lattice parameters are
197-
known in advance, allowing an original estimate of the
198-
:math:`\mathcal{B}` matrix to be derived. Once the two peaks have been
189+
In the refinement procedure implemented by *NXRefine*, it is assumed
190+
that the space group and approximate lattice parameters are known in
191+
advance, allowing an original estimate of the :math:`\mathcal{B}` matrix
192+
to be derived. The orientation matrix, :math:`\mathcal{U}`, is then
193+
generated by selecting two Bragg peaks, whose (*h*, *k*, *l*) values are
194+
determined using initial estimates of the instrument angles and the
195+
sample *d*-spacings. θ, ω, χ, and Φ are initially set to their nominal
196+
motor angles, while the position and tilt angles of the detector are
197+
estimated using a powder calibrant. Once the two peaks have been
199198
selected, they are used to produce an initial estimate of
200199
:math:`\mathcal{U}`, from which all the other peaks are assigned (*h*,
201200
*k*, *l*) indices. If these assignments are reasonable, then a large
202201
number of peaks are used to refine both the instrumental and sample
203202
parameters in order to minimize discrepancies between the calculated and
204203
measured peak positions, allowing :math:`\mathcal{U}` to be optimized.
205-
If few peaks are assigned with reasonable accuracy by the selection of
206-
the initial two peaks, it is necessary to select two different peaks.
204+
If only a few peaks are assigned with reasonable accuracy by the
205+
selection of the initial two peaks, it may be necessary to select two
206+
different peaks.
207207

208208
The refinement process, along with the tools that *NXRefine* provide to
209209
facilitate peak assignments, are described in a later section.

0 commit comments

Comments
 (0)