[cctbxbb] indexing success rates
jmholton at lbl.gov
Fri Feb 2 13:35:56 PST 2018
While testing the new simTBX diffraction image simulator Aaron and I found
that some rather beautiful-looking images still won't index. Subsequently,
I followed up with mosflm, which does succeed in these cases, even without
prior knowledge of the cell or space group.
I have now run this 1000 times, varying only the crystal orientation, and
found 171 cases of dials.stills_process failing to index the simulated
image whereas mosflm had no trouble, and 5 cases where mosflm failed and
dials.stills_process succeeded. There were no overlapping cases where both
I have tarballed up the relevant files here:
The tarball contains a "runme.com" shell script for reproducing these
results, and also the tst_nanoBragg_forindex.py jiffy for making a test
image given a provided random-number seed. For example:
libtbx.python ./tst_nanoBragg_forindex.py random 15
will create a file called noiseimage_001.cbf that dials.stills_process
cannot index (at least in my hands). For those of you who don't have
mosflm installed, the tarball incluses a copy, and the "autoindex.com"
script should run on any linux system.
Any ideas as to why there is this discrepancy? Feels like an opportunity
for a non-trivial improvement.
Something to ponder over the weekend, I suppose. Note that I recently
checked in a few bug fixes to simTBX, but this analysis is unaffected by
them, so you shouldn't have to update your build to reproduce this.
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