Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6c7e2da873a78df58ff4f7e60104d702",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.825,
"b": 56.591,
"c": 101.974,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.140,1.930],
"number_observations": 157940,
"number_observations_unique": 24879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 28.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.930],
"number_observations": 10644,
"number_observations_unique": 1749,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.178
},
{
"type": "R(meas)",
"value": 2.393
},
{
"type": "R(pim)",
"value": 0.978
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [29.140,8.620],
"number_observations": 1982,
"number_observations_unique": 336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 70.300
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}