Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "62e98b8596893fd6d879ad874c32bff1",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 114.255,
"b": 114.255,
"c": 168.221,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.470,3.410],
"number_observations": 89619,
"number_observations_unique": 17232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.680,3.410],
"number_observations": 18746,
"number_observations_unique": 3554,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.417
},
{
"type": "R(meas)",
"value": 3.736
},
{
"type": "R(pim)",
"value": 1.464
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.381
}
]
},
{
"resolution_limits": [49.470,9.020],
"number_observations": 4562,
"number_observations_unique": 953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 47.300
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}