Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "083293163eef98b8a9edddda2cb751c2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 161.88,
"b": 43.22,
"c": 97.16,
"alpha": 90.00,
"beta": 111.52,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.4120,2.880],
"number_observations": 89910,
"number_observations_unique": 13581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.040,2.880],
"number_observations": 14309,
"number_observations_unique": 2023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.916
},
{
"type": "R(pim)",
"value": 0.370
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [40.410,9.120],
"number_observations": 2871,
"number_observations_unique": 483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 27.100
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}