Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fb525f0fd1995b59d4d18c0f95311e56",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 77.16,
"b": 77.16,
"c": 71.71,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.560,1.560],
"number_observations": 376004,
"number_observations_unique": 31407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.560],
"number_observations": 20245,
"number_observations_unique": 2274,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.743
},
{
"type": "R(meas)",
"value": 1.852
},
{
"type": "R(pim)",
"value": 0.617
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.596
}
]
},
{
"resolution_limits": [54.560,6.980],
"number_observations": 4514,
"number_observations_unique": 433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 73.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}