Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a4eb901e2d1becd7a2e9df6684b876a9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.118,
"b": 53.529,
"c": 44.344,
"alpha": 90.00,
"beta": 101.01,
"gamma": 90.00
},
"wavelengths": [0.91258],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.02,1.84],
"number_observations": 74229,
"number_observations_unique": 22857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "R(pim)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [1.88,1.84],
"number_observations": 4587,
"number_observations_unique": 1362,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.326
},
{
"type": "R(meas)",
"value": 1.573
},
{
"type": "R(pim)",
"value": 0.838
},
{
"type": "I/SigI",
"value": 0.5
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.383
}
]
}
]
}