Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5d2aae759562b997b7a016e67cd9d0bf",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 85.51,
"b": 100.68,
"c": 101.94,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97240],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.510,1.850],
"number_observations": 273972,
"number_observations_unique": 74499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 11490,
"number_observations_unique": 4027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "R(pim)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [65.510,9.250],
"number_observations": 2347,
"number_observations_unique": 678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}