Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "056f2d54dadbedb013b5d1848ede28ee",
"space_group_name": "P 1",
"unit_cell": {
"a": 55.53,
"b": 83.52,
"c": 107.78,
"alpha": 109.94,
"beta": 91.54,
"gamma": 105.78
},
"wavelengths": [1.00300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.610,2.580],
"number_observations": 98206,
"number_observations_unique": 51683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
"refln_shells": [
{
"resolution_limits": [2.660,2.580],
"number_observations": 5629,
"number_observations_unique": 3115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.639
},
{
"type": "R(pim)",
"value": 0.639
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 66.000
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.437
}
]
},
{
"resolution_limits": [29.610,10.620],
"number_observations": 1379,
"number_observations_unique": 720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}