Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "3e18b7c8dcf671fdf5f99c232802a628",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 111.797,
"b": 87.975,
"c": 95.763,
"alpha": 90.00,
"beta": 108.25,
"gamma": 90.00
},
"wavelengths": [0.87310],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.42,2.12],
"number_observations_unique": 49442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.13
},
{
"type": "R(meas)",
"value": 0.1544
},
{
"type": "R(pim)",
"value": 0.08232
},
{
"type": "I/SigI",
"value": 6.09
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.16,2.12],
"number_observations_unique": 2730,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.625
},
{
"type": "R(meas)",
"value": 0.929
},
{
"type": "I/SigI",
"value": 0.84
},
{
"type": "CC(1/2)",
"value": 0.372
}
]
},
{
"resolution_limits": [2.45,2.37],
"number_observations_unique": 6188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.679
},
{
"type": "R(meas)",
"value": 0.762
},
{
"type": "CC(1/2)",
"value": 0.531
}
]
},
{
"resolution_limits": [2.53,2.45],
"number_observations_unique": 6004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.557
},
{
"type": "R(meas)",
"value": 0.595
},
{
"type": "CC(1/2)",
"value": 0.633
}
]
},
{
"resolution_limits": [2.63,2.53],
"number_observations_unique": 5798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.434
},
{
"type": "CC(1/2)",
"value": 0.742
}
]
}
]
}