Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3d2713329a623fc9891bed7891a740ba",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 60.04,
"b": 42.25,
"c": 67.41,
"alpha": 90.00,
"beta": 95.18,
"gamma": 90.00
},
"wavelengths": [1.11664],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.79,1.3],
"number_observations_unique": 83050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1342
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.02718
},
{
"type": "I/SigI",
"value": 13.31
},
{
"type": "Completeness",
"value": 99.96
},
{
"type": "Redundancy",
"value": 25.3
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
"refln_shells": [
{
"resolution_limits": [1.32,1.3],
"number_observations_unique": 4129,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.329
},
{
"type": "R(meas)",
"value": 2.382
},
{
"type": "R(pim)",
"value": 0.493
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 22.7
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [59.86,3.53],
"number_observations_unique": 4311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 42.2
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 24.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}