Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ddc8f0d717eff7d8f7ee20ce27e269c9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 73.483,
"b": 42.711,
"c": 158.470,
"alpha": 90.00,
"beta": 94.94,
"gamma": 90.00
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.630,1.700],
"number_observations": 361603,
"number_observations_unique": 106944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations_unique": 5230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.600
},
{
"type": "R(meas)",
"value": 0.715
},
{
"type": "R(pim)",
"value": 0.384
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [52.630,9.310],
"number_observations_unique": 709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}