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authorThomas White <taw@physics.org>2021-05-18 12:16:24 +0200
committerThomas White <taw@physics.org>2021-05-18 12:16:41 +0200
commit7c3059ee1204d169e025b0d57d32a0d4e389c541 (patch)
tree424b6661f4d99f51169ee199a2f999b0d95b0c61 /doc/articles
parente8c9b0f221f4a389f338aff9adefe277b44829fd (diff)
Fuss over electrons.rst
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-rw-r--r--doc/articles/electrons.rst34
1 files changed, 20 insertions, 14 deletions
diff --git a/doc/articles/electrons.rst b/doc/articles/electrons.rst
index 00d326a8..e04b0905 100644
--- a/doc/articles/electrons.rst
+++ b/doc/articles/electrons.rst
@@ -3,11 +3,15 @@ Processing electron diffraction data with CrystFEL
==================================================
Electron diffraction data is fully supported in recent versions of CrystFEL.
-For some background, see this paper:
+For some background, see these papers:
-R. Bücker, P. Hogan-Lamarre, P. Mehrabi, E. C. Schulz et al. "Serial protein
-crystallography in an electron microscope". Nature Communications 11 (2020)
-996. `doi:10.1038/s41467-020-14793-0 <https://doi.org/10.1038/s41467-020-14793-0>`_
+* R. Bücker, P. Hogan-Lamarre, P. Mehrabi, E. C. Schulz et al. "Serial protein
+ crystallography in an electron microscope". Nature Communications 11 (2020)
+ 996.
+ `doi:10.1038/s41467-020-14793-0 <https://doi.org/10.1038/s41467-020-14793-0>`_
+* Robert Bücker, Pascal Hogan-Lamarre, R. J. Dwayne Miller. "Serial Electron
+ Diffraction Data Processing with diffractem and CrystFEL"
+ https://arxiv.org/abs/2011.02977
Here are some tips to get you started with your own data.
@@ -17,7 +21,7 @@ Setting the wavelength
You can set the accelerating voltage in the geometry file::
- electron_voltage 300 kV
+ electron_voltage 200 kV
This should be the accelerating voltage, not the relativistically-corrected
energy of the accelerated electrons (the difference is small). Alternatively,
@@ -53,8 +57,8 @@ Note that the coordinates are shifts of the *detector* (not the *beam*) in the
single-panel detectors and are therefore not implemented.
Correcting elliptical distortions of the projector lens can be done quite well
-by setting the panel direction vectors (see ``man crystfel_geometry`` again) to be
-non-orthogonal. For example::
+by setting the panel direction vectors (see ``man crystfel_geometry`` again) to
+be non-orthogonal. For example::
p0/fs = +0.9934x -0.0092y
p0/ss = -0.0092x +1.0067y
@@ -84,18 +88,20 @@ more accurate results by increasing the granularity of refinement within
Pinkindexer using ``--pinkIndexer-refinement-type=N``, with ``N`` from 0 (least
precise and fastest) to 5 (most precise and slowest). The default value is 1.
-For speed, you might want to add ``--max-indexer-threads=N``, where ``N`` is the
-number of threads that PinkIndexer should use within itself. You should also
-use ``-j M`` to specify the number of frames that ``indexamajig`` should process in
-parallel. The sum of ``N`` and ``M`` should be roughly the number of available CPU
-cores. It's also useful to try indexing each pattern only once (``--no-retry``).
+For speed, you might want to add ``--max-indexer-threads=N``, where ``N`` is
+the number of threads that PinkIndexer should use within itself. You should
+also use ``-j M`` to specify the number of frames that ``indexamajig`` should
+process in parallel. The sum of ``N`` and ``M`` should be roughly equal to the
+number of available CPU cores. It's also helpful to disable the
+default``indexamajig`` behaviour of making multiple attempts to index each
+pattern (``--no-retry``).
If the camera length is specified in the geometry file by referencing values
from image file headers, then you will also need to give an estimate of the
camera length using ``--camera-length-estimate``. The same applies if the
wavelength is specified indirectly, in which case you will need
-``--wavelength-estimate``. Neither of these are usually necessary for electron
-diffraction data.
+``--wavelength-estimate``. However, neither of these are usually necessary for
+electron diffraction data.
Saving and re-loading indexing results