Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c82ff866cc9d166e617b95fce1b56c29",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 89.242,
"b": 89.242,
"c": 105.791,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [77.285,1.930],
"number_observations": 370283,
"number_observations_unique": 70593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 11.680
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,1.930],
"number_observations": 60811,
"number_observations_unique": 11393,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.119
},
{
"type": "R(meas)",
"value": 1.242
},
{
"type": "I/SigI",
"value": 1.170
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.508
}
]
},
{
"resolution_limits": [2.190,2.050],
"number_observations": 56643,
"number_observations_unique": 10741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.723
},
{
"type": "R(meas)",
"value": 0.804
},
{
"type": "I/SigI",
"value": 1.970
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.688
}
]
},
{
"resolution_limits": [2.370,2.190],
"number_observations": 49760,
"number_observations_unique": 9979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.458
},
{
"type": "R(meas)",
"value": 0.513
},
{
"type": "I/SigI",
"value": 3.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
},
{
"resolution_limits": [2.590,2.370],
"number_observations": 49726,
"number_observations_unique": 9216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "R(meas)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [2.900,2.590],
"number_observations": 43851,
"number_observations_unique": 8304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 9.570
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.340,2.900],
"number_observations": 38466,
"number_observations_unique": 7333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 17.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.090,3.340],
"number_observations": 32662,
"number_observations_unique": 6200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 30.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.780,4.090],
"number_observations": 24494,
"number_observations_unique": 4787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 39.750
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [77.285,5.780],
"number_observations": 13870,
"number_observations_unique": 2640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 44.150
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}