Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "de3b56ab14ce5efae223293e42d3ed4d",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.177,
"b": 111.826,
"c": 62.766,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.75,1.37],
"number_observations_unique": 60725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0991
},
{
"type": "I/SigI",
"value": 36.29
},
{
"type": "Completeness",
"value": 99.58
},
{
"type": "Redundancy",
"value": 13.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.419,1.37],
"number_observations_unique": 5935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.5968
},
{
"type": "I/SigI",
"value": 3.47
},
{
"type": "Completeness",
"value": 97.86
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
}
]
}