Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a6332682b72fcbb70ee6bc2f6d52c4b0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.764,
"b": 83.478,
"c": 95.558,
"alpha": 90.00,
"beta": 91.52,
"gamma": 90.00
},
"wavelengths": [2.00000,4.16000,1.54060],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [14.51,2.3],
"number_observations_unique": 38362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 7.3
},
{
"type": "Completeness",
"value": 92.5
},
{
"type": "Redundancy",
"value": 4.1
},
{
"type": "CC(1/2)",
"value": 0.911
}
]
},
"refln_shells": [
{
"resolution_limits": [2.37,2.3],
"number_observations_unique": 3307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "R(pim)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 80.1
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.437
}
]
},
{
"resolution_limits": [2.07,2.0],
"number_observations_unique": 6207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.462
},
{
"type": "R(pim)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.730
}
]
}
]
}