Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "efd05c1729c13906e6fe83e2ee8c0f8c",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 55.305,
"b": 145.928,
"c": 46.904,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97933],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [145.930,1.650],
"number_observations": 301349,
"number_observations_unique": 46528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 15373,
"number_observations_unique": 2302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.851
},
{
"type": "R(meas)",
"value": 0.922
},
{
"type": "R(pim)",
"value": 0.352
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.767
}
]
},
{
"resolution_limits": [145.930,9.040],
"number_observations": 1858,
"number_observations_unique": 341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 35.000
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}