Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "5f6dd0c7fcbacf685b63718e8912ac13",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 84.65,
"b": 84.65,
"c": 131.69,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.990,2.600],
"number_observations": 342557,
"number_observations_unique": 17367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 24.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.670,2.600],
"number_observations": 26376,
"number_observations_unique": 1264,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.823
},
{
"type": "R(meas)",
"value": 1.869
},
{
"type": "R(pim)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.900
},
{
"type": "CC(1/2)",
"value": 0.787
}
]
},
{
"resolution_limits": [48.990,11.630],
"number_observations": 2714,
"number_observations_unique": 232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 54.900
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}