Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "397e5ac7f08920a3f4016dd417326242",
"space_group_name": "H 3",
"unit_cell": {
"a": 151.12,
"b": 151.12,
"c": 117.58,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [87.470,2.850],
"number_observations_unique": 22027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [3.000,2.850],
"number_observations": 7830,
"number_observations_unique": 3297,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.010
},
{
"type": "R(meas)",
"value": 1.305
},
{
"type": "R(pim)",
"value": 0.820
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.796
}
]
},
{
"resolution_limits": [87.460,9.010],
"number_observations": 1518,
"number_observations_unique": 655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 34.000
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}