Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "65ec407791a4ee1ca71c161250826067",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 126.122,
"b": 91.828,
"c": 103.203,
"alpha": 90.0,
"beta": 105.2,
"gamma": 90.0
},
"wavelengths": [0.88560],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [73.305,1.690],
"number_observations_unique": 97054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 10.8
},
{
"type": "Completeness",
"value": 76.5
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [73.305,5.060],
"number_observations_unique": 4853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.09
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 33.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.838,1.690],
"number_observations_unique": 4853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.956
},
{
"type": "R(meas)",
"value": 1.026
},
{
"type": "R(pim)",
"value": 0.373
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 17.2
},
{
"type": "Redundancy",
"value": 7.5
},
{
"type": "CC(1/2)",
"value": 0.818
}
]
}
]
}