Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0f42dc3a0fafbfd97ca9e38c97dfb5a9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.160,
"b": 41.514,
"c": 72.065,
"alpha": 90.000,
"beta": 104.131,
"gamma": 90.000
},
"wavelengths": [0.95372],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.5,1.45],
"number_observations_unique": 43133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 13.4
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 12.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.47,1.45],
"number_observations_unique": 2135,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.175
},
{
"type": "R(pim)",
"value": 0.630
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "CC(1/2)",
"value": 0.556
}
]
}
]
}