One command to score a jfjoch anomalous merge against XDS on physical
accuracy: feed the -A merge through SHELXC + ANODE (run under qemu-user,
since this WSL2 kernel's vsyscall=none breaks the static SHELX binaries)
and report <d"/sig> per shell and the averaged anomalous peak height at
the model S/Cl sites vs XDS. Unlike R-meas/CC1/2 (precision) it catches
accuracy regressions - e.g. outlier rejection raises CC1/2 but lowers
the anomalous peaks.
Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>
leonarski_f
7cc418ed2f