Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "836a78ad4fe0cea902c3e1c0114ab93d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 101.623,
"b": 58.727,
"c": 236.139,
"alpha": 90.00,
"beta": 90.32,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.810,2.400],
"number_observations": 342285,
"number_observations_unique": 52746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.470,2.400],
"number_observations_unique": 4597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.381
},
{
"type": "R(meas)",
"value": 0.439
},
{
"type": "R(pim)",
"value": 0.211
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [19.810,9.900],
"number_observations_unique": 579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 70.200
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}