tools/battery: an index-4 superstructure set for the open arm

6z9g, P 1 21 1, 120.306 93.815 126.951 / 105.201, 1.76 A, 2300 frames on an
EIGER X 4M (ESRF ID30B; Zenodo 10.5281/zenodo.3874714, CC BY, 12.8 GB).

Its deposited cell is an index-4 superstructure of the sublattice a/2, b, c/2:
four copies of each of two entities, whose NCS pairs superpose as the XOR-closed
trio of near-pure translations (1/2,0,0), (0,0,1/2) and (1/2,0,1/2), rmsd
0.18-0.22 A with 5-9 deg of libration. It is the only such entry among the 283
multi-copy PDB entries that declare a raw-data DOI, and the corpus had no index-4
case at all: every pseudo-translation it carries is index 2 or a setting artefact.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_013nW6FNRP1bBJJ8pfHiByAT
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leonarski_fandClaude Opus 5 committed 2026-09-23 14:42:56 +02:00
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{"id": "7raa", "input": "7raa/A6_1_00001.cbf", "ref": {"sg": "P 43 21 2", "sgno": 96, "cell": [66.372, 66.372, 298.302, 90.0, 90.0, 90.0], "dmin": 2.69}, "tags": ["cbf"]},
{"id": "9fcf", "input": "9fcf/IBCH-05-p03x03_3_00001.cbf.gz", "ref": {"sg": "P 4", "sgno": 75, "cell": [91.301, 91.301, 35.836, 90.0, 90.0, 90.0], "dmin": 2.36}, "tags": ["cbf"]},
{"id": "9h0q", "input": "9h0q/Bc2lCnter-pma127_2_master.h5", "ref": {"sg": "H 3 2", "sgno": 155, "cell": [169.506, 169.506, 344.036, 90.0, 90.0, 120.0], "dmin": 2.55}, "tags": ["h5"]},
{"id": "5ky6", "input": "5ky6/C11_1_001.img", "ref": {"sg": "P 1 21 1", "sgno": 4, "cell": [84.511, 57.253, 164.016, 90.0, 102.57, 90.0], "dmin": 1.941}, "tags": ["marccd"]}
{"id": "5ky6", "input": "5ky6/C11_1_001.img", "ref": {"sg": "P 1 21 1", "sgno": 4, "cell": [84.511, 57.253, 164.016, 90.0, 102.57, 90.0], "dmin": 1.941}, "tags": ["marccd"]},
{"id": "6z9g", "input": "6z9g/HASE01-ga1o2_w1_2_1_master.h5", "ref": {"sg": "P 1 21 1", "sgno": 4, "cell": [120.306, 93.815, 126.951, 90.0, 105.201, 90.0], "dmin": 1.76}, "tags": ["h5", "tncs"]}
]}