Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a565fccdaa7dcc0c6cc9e1e6beeea288",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 77.55,
"b": 90.22,
"c": 68.67,
"alpha": 90.00,
"beta": 98.01,
"gamma": 90.00
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.630,1.500],
"number_observations": 508961,
"number_observations_unique": 74367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 26101,
"number_observations_unique": 3710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.787
},
{
"type": "R(pim)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.638
}
]
},
{
"resolution_limits": [35.630,8.220],
"number_observations": 1742,
"number_observations_unique": 358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 56.700
},
{
"type": "Completeness",
"value": 73.600
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
}
]
}