Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "f998d6e4b4e2486a04cdcd1ed1f24a30",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 105.02,
"b": 105.02,
"c": 160.75,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.16,1.68],
"number_observations_unique": 116629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 12.37
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.78,1.68],
"number_observations_unique": 18653,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.19
},
{
"type": "R(meas)",
"value": 2.294
},
{
"type": "I/SigI",
"value": 1.09
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "CC(1/2)",
"value": 0.701
}
]
},
{
"resolution_limits": [1.91,1.78],
"number_observations_unique": 17552,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.346
},
{
"type": "R(meas)",
"value": 1.409
},
{
"type": "I/SigI",
"value": 47.42
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
},
{
"resolution_limits": [2.06,1.91],
"number_observations_unique": 16380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.802
},
{
"type": "R(meas)",
"value": 0.84
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [2.26,2.06],
"number_observations_unique": 15092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "R(meas)",
"value": 0.485
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.52,2.26],
"number_observations_unique": 13687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "R(meas)",
"value": 0.28
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
{
"resolution_limits": [2.91,2.52],
"number_observations_unique": 12163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.16
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.56,2.91],
"number_observations_unique": 10323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.02,3.56],
"number_observations_unique": 8105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [46.16,5.02],
"number_observations_unique": 4674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}