Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "360955954a1d393877ef78110c3f4871",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 189.33,
"b": 103.17,
"c": 61.79,
"alpha": 90.00,
"beta": 98.32,
"gamma": 90.00
},
"wavelengths": [1.54980],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.570,2.190],
"number_observations_unique": 59028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.190],
"number_observations": 30803,
"number_observations_unique": 8472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "R(meas)",
"value": 0.329
},
{
"type": "R(pim)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [30.570,6.930],
"number_observations": 6092,
"number_observations_unique": 1763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}