Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f37049d1a3652a6ccceede33a1b0cbf6",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 179.151,
"b": 95.052,
"c": 71.567,
"alpha": 90.00,
"beta": 113.55,
"gamma": 90.00
},
"wavelengths": [0.97650],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.530,3.010],
"number_observations": 166560,
"number_observations_unique": 21941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.190,3.010],
"number_observations_unique": 3497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.852
},
{
"type": "R(meas)",
"value": 0.914
},
{
"type": "R(pim)",
"value": 0.330
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [47.530,9.030],
"number_observations_unique": 839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}