Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fdb9d2d736f77de71b7fe65caa38d471",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.27,
"b": 76.29,
"c": 138.06,
"alpha": 90.00,
"beta": 90.01,
"gamma": 90.00
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.850],
"number_observations_unique": 73773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07000
},
{
"type": "I/SigI",
"value": 12.52
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.90,1.85],
"number_observations_unique": 5452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.55900
},
{
"type": "I/SigI",
"value": 3.220
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.669
}
]
}
]
}