Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5b016588e1e18dc96e04ebbd012c0337",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.35,
"b": 93.37,
"c": 154.68,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [154.680,2.660],
"number_observations": 83949,
"number_observations_unique": 17612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.800,2.660],
"number_observations": 12987,
"number_observations_unique": 2586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.670
},
{
"type": "R(pim)",
"value": 0.312
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [154.680,8.400],
"number_observations": 2453,
"number_observations_unique": 586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 22.000
},
{
"type": "Completeness",
"value": 85.400
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}