Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7fc8972cd33ca73e809d2e945d902258",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.692,
"b": 52.831,
"c": 44.621,
"alpha": 90.00,
"beta": 103.02,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.880,1.740],
"number_observations": 93629,
"number_observations_unique": 26305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.740],
"number_observations": 4306,
"number_observations_unique": 1411,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.337
},
{
"type": "R(meas)",
"value": 1.622
},
{
"type": "R(pim)",
"value": 0.904
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.326
}
]
},
{
"resolution_limits": [54.880,9.030],
"number_observations": 807,
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 21.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}