Table 2. Filters Applied at Runtime.
| filter | condition |
|---|---|
| Blind Test 5 and 6 targets | not allowed |
| molecule is organic | allowed |
| molecule is organometallic | allowed |
| molecule max # atoms | 100 |
| molecule max atomic number | 100 |
| Z value | Z = Wyckoff multiplicity |
| Z value | 0 < Z ≤ 18 |
| crystal packing coefficient, cpack | 0.55 < cpack < 0.85 |
| crystal has disorder | not allowed |
| nonstandard space group settings | not allowed |
| multiple polymorphs per entry | not allowed |
| missing R-factor in entry | allowed |
| exactly overlapping atoms | not allowed |