Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "072d0c2a95f8a8b30a29af31e1e7a495",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 76.570,
"b": 101.918,
"c": 171.585,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.45900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.850,1.980],
"number_observations": 460151,
"number_observations_unique": 92510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 13.510
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.974
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,1.980],
"number_observations": 44548,
"number_observations_unique": 13973,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.049
},
{
"type": "R(meas)",
"value": 1.248
},
{
"type": "I/SigI",
"value": 1.310
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.188
},
{
"type": "CC(1/2)",
"value": 0.660
}
]
},
{
"resolution_limits": [2.240,2.100],
"number_observations": 56215,
"number_observations_unique": 13810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.499
},
{
"type": "R(meas)",
"value": 0.573
},
{
"type": "I/SigI",
"value": 2.920
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.071
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
{
"resolution_limits": [2.420,2.240],
"number_observations": 61134,
"number_observations_unique": 13042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "R(meas)",
"value": 0.387
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.687
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [2.650,2.420],
"number_observations": 68464,
"number_observations_unique": 12137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 7.130
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.641
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.970,2.650],
"number_observations": 64748,
"number_observations_unique": 11069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 12.010
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.849
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.420,2.970],
"number_observations": 57769,
"number_observations_unique": 9776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 20.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.909
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.190,3.420],
"number_observations": 48525,
"number_observations_unique": 8362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 33.250
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.803
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.900,4.190],
"number_observations": 37490,
"number_observations_unique": 6559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 39.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.716
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [48.850,5.900],
"number_observations": 21258,
"number_observations_unique": 3782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 44.960
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.621
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}