Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ae5c31d8fcc5208b78c61c3b15589ede",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 85.809,
"b": 56.355,
"c": 32.265,
"alpha": 90.0,
"beta": 94.7,
"gamma": 90.0
},
"wavelengths": [0.94055],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.06,1.39],
"number_observations": 213967,
"number_observations_unique": 30114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 8.1
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.46,1.39],
"number_observations": 30522,
"number_observations_unique": 4284,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.919
},
{
"type": "R(meas)",
"value": 2.068
},
{
"type": "R(pim)",
"value": 0.765
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.486
}
]
}
]
}