Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "900f5b374ff7ba74c0e48a531e8bf5d3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 77.943,
"b": 46.504,
"c": 63.916,
"alpha": 90.00,
"beta": 94.72,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.699,1.300],
"number_observations_unique": 54978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.304,1.300],
"number_observations": 1716,
"number_observations_unique": 538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "R(meas)",
"value": 0.300
},
{
"type": "R(pim)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [63.699,6.032],
"number_observations": 1844,
"number_observations_unique": 594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 41.700
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}