Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "931ea56739ec1145c6ca85302d7cb078",
"space_group_name": "F 4 3 2",
"unit_cell": {
"a": 184.271,
"b": 184.271,
"c": 184.271,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950,1.73840,1.75120],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [92.13,1.70],
"number_observations_unique": 30053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.3
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.79,1.70],
"number_observations_unique": 4300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.717
},
{
"type": "R(meas)",
"value": 0.751
},
{
"type": "R(pim)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.6
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [2.10,1.99],
"number_observations_unique": 2670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.509
},
{
"type": "R(meas)",
"value": 0.540
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 15.3
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [2.10,1.99],
"number_observations_unique": 2708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.368
},
{
"type": "R(meas)",
"value": 0.392
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.3
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
}
]
}