Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "ba92d4d1f21c3742c9e118cbebd69f92",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 104.950,
"b": 104.950,
"c": 160.184,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.04,1.43],
"number_observations_unique": 188298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 12.98
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.56,1.43],
"number_observations_unique": 27761,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.493
},
{
"type": "R(meas)",
"value": 2.616
},
{
"type": "CC(1/2)",
"value": 0.626
}
]
},
{
"resolution_limits": [1.67,1.56],
"number_observations_unique": 26129,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.439
},
{
"type": "R(meas)",
"value": 1.507
},
{
"type": "CC(1/2)",
"value": 0.836
}
]
},
{
"resolution_limits": [1.8,1.67],
"number_observations_unique": 24314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.794
},
{
"type": "R(meas)",
"value": 0.831
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [1.97,1.80],
"number_observations_unique": 22461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.414
},
{
"type": "R(meas)",
"value": 0.433
},
{
"type": "CC(1/2)",
"value": 0.98
}
]
},
{
"resolution_limits": [2.2,1.97],
"number_observations_unique": 20374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.54,2.20],
"number_observations_unique": 17991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.11,2.54],
"number_observations_unique": 15319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.39,3.11],
"number_observations_unique": 11992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [46.04,4.39],
"number_observations_unique": 6859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.04
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}