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Rotation kept a 1.5 A high-resolution limit for spot finding on the
strength of one indexing-rate measurement (100.0 -> 96.8% on a strong
set). Measured properly, over the whole 33-crystal rotation battery, it
does not earn its place:
* no space-group decision changes - the same 30/33 agree with XDS, and
the three that differ are the known pre-existing cases, unchanged;
* 29 of 33 crystals are identical to the digit - same indexing rate,
R_meas, CC1/2, ISa. The limit was doing nothing on the large
majority;
* where it does bite, the limit is the worse setting. The one crystal
that loses appreciable indexing rate without it (99.50 -> 94.22%)
comes back with lower R_meas (29.4 -> 28.1), higher high-resolution
CC1/2 (27.9 -> 29.1) and higher ISa (5.77 -> 6.17). Another loses
0.4% of frames and gains 2.8 points of CC1/2_hi. Fewer frames
indexed, better data from them;
* runtime is unchanged (16m46s vs 17m32s over the battery).
So the indexing-rate cost is real but does not carry through to the
merged data, which is what the limit was protecting. Unset now means "as
far as the detector reaches" for rotation as well as stills;
--spot-high-resolution still sets a limit for weak, high-background data
where the extra high-resolution spots are genuinely noise.
This also removes the flag that distinguished "the user asked for no
limit" from "the user said nothing" - with no rotation default left,
both mean the same thing. While rewriting the comment block, corrects
its neighbouring claim that rotation keeps the fixed-threshold finder;
adaptive detection has been the default for both workflows since
6f4917dce.
Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Jungfraujoch
Application to receive data from the PSI JUNGFRAU and EIGER detectors.
All documentation is now placed in docs/ subdirectory and for the current version hosted on Jungfraujoch Read The Docs page.
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