Peaks in the Patterson map are interatomic vectors. Those lying on a Harker
section are decoded into candidate atom positions, and positions that agree
across several sections are merged into the consolidated list used as the starting
point for the swarm.
1 · Patterson peaks
vectors (u,v,w)
#
σ
u
v
w
2 · Harker solutions
positions from one section each
Section
x
y
z
3 · Consolidated
agreed across sections
#
x
y
z
Fitness evolution
Proposed structure
edited
Atoms in cell
Atoms in cell—
Shortest contact—
Cell mass—
Asymmetric unit
?The independent atoms. Editing a coordinate
regenerates every symmetry equivalent, redraws the structure, rechecks contacts
and changes what Save CIF writes.
Fractional coordinates; values outside
0–1 are wrapped back into the cell.