Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e73d0fe4e62292f76567bb29fbad98f2",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 102.999,
"b": 102.999,
"c": 126.831,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [89.200,1.790],
"number_observations": 1411770,
"number_observations_unique": 73725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.790],
"number_observations": 90086,
"number_observations_unique": 5428,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.703
},
{
"type": "R(meas)",
"value": 1.757
},
{
"type": "R(pim)",
"value": 0.430
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.600
},
{
"type": "CC(1/2)",
"value": 0.843
}
]
},
{
"resolution_limits": [89.200,8.010],
"number_observations": 16912,
"number_observations_unique": 936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 68.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 18.100
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
}
]
}