Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9e4319c29edc1cfae9e32718e2300a55",
"space_group_name": "C 1 2/c 1",
"unit_cell": {
"a": 80.402,
"b": 43.989,
"c": 58.437,
"alpha": 90.00,
"beta": 118.44,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.460,1.500],
"number_observations": 107681,
"number_observations_unique": 29319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 5303,
"number_observations_unique": 1446,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.652
},
{
"type": "R(pim)",
"value": 1.001
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.697
}
]
},
{
"resolution_limits": [51.460,8.220],
"number_observations": 614,
"number_observations_unique": 187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 34.700
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}