Grid::interpolate_value defaults to trilinear, and on the d_min/3 map grid that
under-reads a peak by around a tenth. The anomalous site list already asks for
cubic; MEAN_ATOM_DENSITY_SIGMA was left on the default so a number already in
existing reports would not move, but the same argument that makes cubic right
for one reading makes it right for the other, and the two should not disagree
about how a map is sampled. One named constant now carries the choice and the
reason for both.
Measured on two rotation datasets: 1.96 -> 2.20 and 2.69 -> 2.89 sigma. The
maps, the R-factors and every other reported number are unchanged - only this
reading of the map moves, so it no longer compares with what earlier versions
printed.
Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_014zTy4Bpi4pPHw4bybf7q2R
leonarski_fandClaude Opus 5
347e76fd87
