mx/Jungfraujoch
3
2 Fork 0
Code Issues Pull Requests Actions 1 Packages Projects Releases 93 Wiki Activity

battery: add 2ygz to the open arm

Browse Source 
A P21 crystal in the same form as 2xfw, but pseudo-merohedrally twinned
with a twin fraction of 0.33 at an obliquity of 0.29 deg. That is the
largest twin fraction at the highest obliquity in the arm. The PDB entry
was withdrawn, so the reference cell and resolution come from Table 1 of
Campeotto et al. (2018) Sci. Rep. 8, 14876, and the set runs without a
model.

Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01SVmAWnzCmRKAXVUCdc4iNi
This commit is contained in:
leonarski_fandClaude Opus 5.5 committed 2026-10-07 17:09:15 +02:00
1 parent 5421c569ed
commit f3c3ea5d3c
1 file changed
+1
Download Patch File Download Diff File Expand all files Collapse all files
tools/battery/open.json
+1
View File
@@ -184,6 +184,7 @@
{"id": "4bwl", "input": "4bwl/y137a_sial5m_MS_1_001.img", "wavelength": 0.9795, "ref": {"sg": "P 1 21 1", "sgno": 4, "cell": [55.97, 143.22, 83.41, 90, 109.51, 90], "dmin": 2.0}, "tags": ["smv", "monoclinic", "twin", "pseudo-merohedral"]},
{"id": "2wnq", "input": "2wnq/I2-3_data_MS_1_001.img", "wavelength": 0.9702, "ref": {"sg": "P 1 21 1", "sgno": 4, "cell": [54.63, 142.77, 84.487, 90, 108.99, 90], "dmin": 1.8}, "tags": ["smv", "monoclinic", "twin", "pseudo-merohedral"]},
{"id": "2xfw", "input": "2xfw/E192N_alone_MS_1_001.img", "wavelength": 0.9796, "ref": {"sg": "P 1 21 1", "sgno": 4, "cell": [78.11, 116.53, 83.74, 90, 117.95, 90], "dmin": 1.65}, "tags": ["smv", "monoclinic", "twin", "pseudo-merohedral"]},
{"id": "2ygz", "input": "2ygz/E192NY137F_pyr_MS_1_001.img", "wavelength": 0.9796, "ref": {"sg": "P 1 21 1", "sgno": 4, "cell": [78.0, 116.7, 83.7, 90, 118.06, 90], "dmin": 1.8}, "tags": ["smv", "monoclinic", "twin", "pseudo-merohedral"]},
{"id": "2wnn", "input": "2wnn/wt_pyr_pos3_MS_3_001.img", "wavelength": 0.92, "ref": {"sg": "P 1 21 1", "sgno": 4, "cell": [54.693, 142.456, 83.626, 90, 109.16, 90], "dmin": 1.65}, "tags": ["smv", "monoclinic", "twin", "pseudo-merohedral"]},
{"id": "2wnz", "input": "2wnz/E192_pyr_MS_1_001.img", "wavelength": 0.9796, "ref": {"sg": "P 1 21 1", "sgno": 4, "cell": [56.921, 143.041, 83.918, 90, 109.79, 90], "dmin": 1.85}, "tags": ["smv", "monoclinic", "pseudo-symmetry"]},
{"id": "6oww", "input": "6oww/data/t1_1_00001.cbf", "wavelength": 1.3857, "ref": {"sg": "P 1 21 1", "sgno": 4, "cell": [85.832, 86.015, 214.34, 90.0, 89.91, 90.0], "dmin": 3.84}, "tags": ["cbf", "monoclinic", "pseudo-symmetry"]},