leonarski_fandClaude Opus 5
d8816169e1
Two corrections to the check, both from measuring it on the non-SLS corpus. Where the file's centre indexes nothing and the measured one does not either, the rotation-axis sign is now asked again AT the measured centre. The two unknowns are discrete and coupled: on the two public depositions in the corpus whose header beam centre is the geometric centre of the detector, the file is 73 px out AND its axis sign is the opposite of the one that indexes. The sign rescue therefore asks its question at a centre 73 px wrong (0/60) and puts the sign back, and the centre is then asked at the wrong sign (0/60). Each error hides the other and the run produces nothing. Asking the pair takes both runs to 100 % indexed on the deposited lattice - 199.40 67.11 against a deposited 199.54 67.15, and 208.77 67.20 against 208.77 67.22 - at the cost of one more first pass on a run that has already failed twice. Asked here rather than by moving the check ahead of the sign rescue, which was tried: that also works, but it moves the beam centre of three datasets whose only fault is the axis sign, for no benefit. Where nothing works the file's centre is put back, so a run that fails for another reason fails at the geometry it was given - 6yqf, whose spindle is along the detector's slow axis, and 7atg both come out exactly as they did before. And the beam centre decides the primitive VOLUME, not the Bravais class: a centre error along the spindle makes the FFT take an axis harmonic, which changes the volume by an integer factor or by sqrt(3), while a class differs for a reason that has nothing to do with the centre. The two are now reported separately. Both "disagreements" in the corpus are of the second kind - primitive volumes agreeing to 0.16 % and 0.57 % while one pass reads R-centred trigonal or P orthorhombic and the other stays triclinic - and in both the file's centre is the one that finds the symmetry and the run's cell matches the deposited one to 0.23 % or better. The cell was never in question, and the strong warning now fires zero times in 32 datasets. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01T3yNBXk4wKdMZy1ak2NY7f
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.