Two unrelated notes, one on each side of what the merge reports.
The axis-harmonic precondition accepted any near-integer volume ratio. Its window
is absolute in a unit integer spacing, so a ratio between two UNRELATED lattices
passes it about a third of the time whatever the multiple is, and at 124x the
pair is not a cell and its harmonic in any sense. That branch was harmless while
the rule was "always take the smaller cell"; deciding the pair on the evidence
makes it reachable, so it is now bounded at 4.
Measured over the corpus: of 44 firings, all 36 at n <= 4 read 1.1 to 51.3
points BELOW the chance occupancy (n-1)/n, so an index-n sub-lattice really
exists in each of them; all 8 above it - two datasets, both decided by 8 to 34
sigma, so not a margin problem - read within 7.8 points OF chance, so none does.
The largest n at which a real sub-lattice was ever seen is 3, and no dataset
moves either way.
Separately, WILSON_B and _reflns.B_iso_Wilson_estimate are fitted to log<I>
directly, which is what XDS's Wilson line does and is not what TRUNCATE,
ctruncate or phenix.xtriage do - they divide out Sigma = sum f^2(s) first.
Leaving Sigma in the slope inflates B by 2-8 A^2 on our own merges, and against
those two programs on the same files this number runs 10-36 A^2 high, in the
same direction every time. The docs said "the analogue of XDS's Wilson-line B",
which is accurate but easy to read past; they now say the two conventions are
not comparable and which one this is.
Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
leonarski_fandClaude Opus 5
5cc2f811b3
